data_6oc9_residue ############################ # Computer software used # ############################ 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 6oc9 _Structure_validation_residue.Date_analyzed 2019-05-31 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 ' 8' ' ' SER . . . . . 0.468 ' HB3' ' H ' ' B' ' 25' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.505 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.683 ' HA2' ' HA3' ' B' ' 9' ' ' GLY . . . 62.95 68.35 1.7 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.693 ' H ' ' H ' ' B' ' 10' ' ' TYR . 0.4 OUTLIER 152.15 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' B' ' 11' ' ' GLU . 4.7 tt0 -147.43 144.93 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.101 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.654 ' HB ' ' H ' ' B' ' 12' ' ' VAL . 54.3 t -109.89 122.7 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -166.28 -174.52 2.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.724 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.461 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 2.0 t60 -168.42 -125.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.703 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 mt-30 -141.81 145.19 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.708 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.659 ' C ' ' HE2' ' B' ' 14' ' ' HIS . 68.2 mmtt 54.83 -76.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -148.48 146.92 28.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.194 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 19' ' ' PHE . 3.1 p -159.07 158.28 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.426 . . . . 0.0 110.99 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.727 ' CE1' HG13 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -152.95 152.45 31.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.429 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -151.71 148.35 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.474 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.43 108.43 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 22' ' ' GLU . 15.8 pt-20 174.84 167.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -80.24 125.62 30.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 117.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.69 -78.24 0.3 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 p -143.46 118.93 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.41 101.81 4.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -102.82 -161.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 76.71 0.02 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . -153.97 175.32 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.386 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -145.78 143.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.244 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.83 146.69 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.47 151.21 23.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 1.4 pt? -154.09 151.29 29.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ttt -150.85 149.59 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 19' ' ' PHE . 35.7 m -150.38 149.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.739 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 148.86 20.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.2 22.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 m -132.95 165.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.502 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' B' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 3' ' ' GLU . . . -169.67 88.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' B' ' 2' ' ' ALA . 64.0 mt-10 57.22 125.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -163.89 73.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -170.91 144.71 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -58.6 165.33 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' B' ' 9' ' ' GLY . 22.0 t70 48.01 29.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA2' ' A' ' 9' ' ' GLY . 1.8 t 48.42 -85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.683 ' HA3' ' HA2' ' A' ' 9' ' ' GLY . . . 155.43 -152.32 23.82 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.693 ' H ' ' H ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -165.0 165.13 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' B' ' 12' ' ' VAL . 2.1 pt-20 -153.23 152.25 30.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.718 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.654 ' H ' ' HB ' ' A' ' 12' ' ' VAL . 3.3 t 89.76 120.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.519 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.746 ' ND1' ' N ' ' B' ' 14' ' ' HIS . 0.0 OUTLIER 165.2 145.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.366 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.947 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 0.7 OUTLIER -173.62 -149.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.723 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.947 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 14.7 mm100 -130.43 -101.84 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' B' ' 15' ' ' GLN . 17.6 tttt -33.97 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.07 143.35 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.031 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' B' ' 20' ' ' PHE . 6.6 p -150.44 149.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.8 t80 -145.08 143.16 30.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.114 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' B' ' 19' ' ' PHE . 27.7 m-85 -146.61 144.83 29.81 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.94 106.69 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.535 ' H ' ' HB3' ' C' ' 22' ' ' GLU . 2.1 pt-20 174.88 142.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD2' ' O ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -68.36 140.93 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.472 HG12 ' N ' ' B' ' 25' ' ' GLY . 0.4 OUTLIER -82.94 179.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.676 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.472 ' N ' HG12 ' B' ' 24' ' ' VAL . . . 62.87 -95.59 0.13 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.523 ' O ' ' OD2' ' B' ' 23' ' ' ASP . 8.7 t -132.33 179.21 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.672 0.272 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 28' ' ' LYS . 14.1 t-20 -138.55 163.94 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.544 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 1.6 mmmm -128.43 -159.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 92.88 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.491 ' H ' ' HB1' ' A' ' 30' ' ' ALA . . . -157.16 -172.32 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.491 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.423 HG22 HD13 ' B' ' 31' ' ' ILE . 39.3 mt -144.74 143.58 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.254 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' B' ' 31' ' ' ILE . 4.7 mp -146.71 144.7 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.2 149.85 21.71 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -153.34 150.47 28.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.549 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 8.6 ttt -147.48 146.29 29.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.626 ' H ' HG11 ' A' ' 36' ' ' VAL . 28.2 m -153.77 152.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.82 152.06 23.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.61 147.0 17.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.34 126.86 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.546 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' C' ' 2' ' ' ALA . 13.4 t0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 1' ' ' ASP . . . -51.71 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.89 145.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.581 ' CD2' ' N ' ' C' ' 20' ' ' PHE . 3.4 t80 -150.75 147.3 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.119 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CE2' ' CD2' ' D' ' 20' ' ' PHE . 36.9 p90 -174.02 174.62 2.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 111.429 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.15 138.63 1.68 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.535 ' HB3' ' H ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER 174.25 160.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.941 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' D' ' 26' ' ' SER . 34.3 t70 -91.66 135.37 33.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.124 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.506 ' O ' ' CA ' ' D' ' 25' ' ' GLY . 0.6 OUTLIER -91.99 78.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.779 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 24' ' ' VAL . . . 173.29 -102.61 0.18 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.426 ' HG ' ' HZ3' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -134.98 128.6 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.491 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.45 101.64 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.47 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 30' ' ' ALA . 28.6 mtpt -78.56 -176.64 4.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.27 88.52 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.721 ' HB1' ' O ' ' D' ' 28' ' ' LYS . . . -161.65 -175.72 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.515 ' H ' ' HA ' ' D' ' 30' ' ' ALA . 7.4 tt -143.31 144.3 23.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.718 ' HB ' ' O ' ' D' ' 32' ' ' ILE . 0.1 OUTLIER -147.77 142.74 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.637 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -154.27 153.41 24.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 4.6 mp -154.2 151.94 29.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' B' ' 35' ' ' MET . 7.8 ttt -145.1 145.31 31.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.787 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 1.026 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -148.87 146.51 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.599 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.27 148.94 20.7 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . 0.687 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -148.54 147.23 17.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.0 147.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.518 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.613 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.31 146.04 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.62 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 2.6 t80 -152.89 148.6 27.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CE2' ' C' ' 20' ' ' PHE . 0.2 OUTLIER 165.96 -164.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 111.126 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.07 122.51 9.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.263 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -122.15 128.98 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' E' ' 23' ' ' ASP . 0.0 OUTLIER -128.9 142.54 50.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.173 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.702 ' O ' ' N ' ' D' ' 26' ' ' SER . 6.3 p -50.15 164.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.685 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' D' ' 24' ' ' VAL . . . -52.83 71.45 0.0 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.702 ' N ' ' O ' ' D' ' 24' ' ' VAL . 14.4 p -145.64 85.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.433 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.42 104.68 16.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HB1' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -98.17 -166.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.648 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -43.47 -174.23 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -31.56 113.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.224 . . . . 0.0 110.574 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.881 HG22 ' O ' ' E' ' 30' ' ' ALA . 1.5 pp -154.43 154.3 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.096 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.718 ' O ' ' HB ' ' C' ' 32' ' ' ILE . 84.0 mt 66.14 72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.831 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.724 ' O ' ' HB3' ' D' ' 34' ' ' LEU . . . -145.91 141.47 9.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 1.229 ' HB2' ' O ' ' E' ' 34' ' ' LEU . 1.0 OUTLIER 161.32 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.139 0.495 . . . . 0.0 111.228 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' I' ' 36' ' ' VAL . 2.0 ptm -158.58 157.78 32.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.483 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 1.026 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -152.87 153.19 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.533 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -154.54 152.56 24.11 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.687 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -152.88 150.9 22.76 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -122.01 153.41 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.64 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' E' ' 20' ' ' PHE . 47.5 m-85 -152.78 149.44 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' E' ' 19' ' ' PHE . 1.1 p90 161.71 -160.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.415 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' E' ' 20' ' ' PHE . . . -131.29 104.29 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.133 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -80.11 118.69 22.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 1.2 m-20 -135.11 114.26 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' E' ' 26' ' ' SER . 30.3 m -128.37 173.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 -74.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.426 ' N ' ' O ' ' E' ' 24' ' ' VAL . 25.1 p -135.83 167.06 21.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.543 ' CG ' ' H ' ' E' ' 28' ' ' LYS . 5.8 t-20 -150.7 -174.29 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.543 ' H ' ' CG ' ' E' ' 27' ' ' ASN . 35.3 mttt -90.57 173.05 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' E' ' 30' ' ' ALA . . . -127.47 118.07 2.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 160.87 -105.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.93 ' HA ' ' O ' ' D' ' 30' ' ' ALA . 14.1 tt -143.5 141.61 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.854 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -146.0 145.08 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' E' ' 34' ' ' LEU . . . 162.75 -160.82 33.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 1.229 ' O ' ' HB2' ' D' ' 34' ' ' LEU . 1.1 pp 159.15 -159.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.668 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -147.03 145.16 29.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.302 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.57 ' H ' HG13 ' D' ' 36' ' ' VAL . 0.2 OUTLIER -153.74 153.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.818 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -152.73 150.77 22.61 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.52 147.77 18.44 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 40' ' ' VAL . 3.0 m -107.01 158.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 39' ' ' VAL . 84.5 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.541 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . 0.504 ' HA2' ' HA2' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' G' ' 10' ' ' TYR . 12.0 t80 -147.77 147.39 29.83 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 14.3 pt-20 -152.13 148.34 27.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.145 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.834 ' HB ' ' H ' ' G' ' 12' ' ' VAL . 69.7 t -111.4 136.34 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' F' ' 13' ' ' HIS . 0.1 OUTLIER -178.34 155.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.633 ' N ' ' NE2' ' G' ' 15' ' ' GLN . 27.8 t60 -173.52 -137.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.606 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 8.0 pt20 -136.73 179.46 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.642 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.5 mttm 40.24 -101.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 144.22 29.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.22 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -147.88 146.78 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.518 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' CG1' ' F' ' 36' ' ' VAL . 0.1 OUTLIER -153.89 150.88 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.98 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 37.7 m-85 -159.35 158.65 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.55 99.76 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.304 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 179.62 179.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' G' ' 23' ' ' ASP . 20.8 p-10 -110.33 151.88 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -74.96 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 -78.49 1.59 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -153.27 164.02 38.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.673 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 9.1 t-20 -106.66 167.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.673 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 26.8 mmtp -128.48 -165.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.41 100.47 1.41 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.5 -163.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.673 0.273 . . . . 0.0 110.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -144.01 142.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 pt -152.61 150.32 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -149.14 148.51 19.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.2 146.58 28.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.4 ' O ' HG13 ' F' ' 36' ' ' VAL . 7.6 ttt -148.13 145.65 28.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.302 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.577 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 2.8 m -147.58 146.79 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.547 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.71 147.75 18.15 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.65 156.96 27.76 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.41 133.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.619 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.61 -79.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.17 -169.62 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -136.83 -179.36 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -74.02 -178.75 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 53.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.57 133.66 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.884 ' H ' ' H ' ' H' ' 9' ' ' GLY . 0.4 OUTLIER -85.64 -25.21 26.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . 159.35 -156.35 27.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.6 OUTLIER -166.45 166.77 16.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' H' ' 11' ' ' GLU . 1.9 pt-20 -150.92 149.62 29.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.882 ' HB ' ' HA ' ' H' ' 12' ' ' VAL . 1.4 t 72.91 113.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.58 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.602 ' CE1' ' ND1' ' G' ' 14' ' ' HIS . 36.3 t-80 -134.13 -54.9 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.602 ' ND1' ' CE1' ' G' ' 13' ' ' HIS . 31.4 m80 -162.85 135.36 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' F' ' 14' ' ' HIS . 5.4 tt0 169.66 162.17 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.552 ' N ' ' CG ' ' G' ' 15' ' ' GLN . 0.0 OUTLIER -47.67 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.91 144.1 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.056 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.62 ' CG2' ' HE2' ' H' ' 14' ' ' HIS . 30.4 t -152.28 151.37 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.567 ' CE2' ' CG1' ' G' ' 36' ' ' VAL . 0.7 OUTLIER -157.68 154.49 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.98 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.0 OUTLIER 165.65 -165.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.71 118.78 32.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.31 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.64 130.83 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' F' ' 23' ' ' ASP . 18.8 t70 -154.47 114.13 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.05 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.448 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 14.7 m -89.36 -170.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.813 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.1 -109.77 2.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -143.13 137.95 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 41.7 t-20 -72.46 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.416 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 0.8 OUTLIER -105.37 167.04 10.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.79 89.96 0.09 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.22 -156.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -146.15 145.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.175 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.31 145.68 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.438 ' C ' ' HG ' ' G' ' 34' ' ' LEU . . . -151.97 149.0 20.64 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.02 155.77 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.664 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -153.44 151.49 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' G' ' 19' ' ' PHE . 0.1 OUTLIER -148.83 148.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 146.78 16.57 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.35 147.89 18.71 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.98 137.22 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.548 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.94 177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' H' ' 4' ' ' PHE . 34.3 mt-10 42.85 51.63 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' H' ' 6' ' ' HIS . 15.2 t80 -47.82 178.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . 0.465 ' O ' ' ND1' ' H' ' 6' ' ' HIS . 74.3 mtt180 -40.55 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' H' ' 4' ' ' PHE . 59.0 m-70 -148.87 -159.32 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' H' ' 8' ' ' SER . 0.8 OUTLIER -138.19 -62.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.507 ' HA ' ' N ' ' G' ' 8' ' ' SER . 15.6 m 58.69 145.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -151.54 148.29 19.15 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' H' ' 9' ' ' GLY . 22.0 m-85 -152.41 150.59 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' G' ' 11' ' ' GLU . 64.1 tt0 -146.15 146.65 30.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.479 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.882 ' HA ' ' HB ' ' G' ' 12' ' ' VAL . 2.2 m -131.32 141.99 44.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.765 0.317 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.551 ' O ' ' C ' ' G' ' 13' ' ' HIS . 1.4 t-80 -167.06 132.37 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.62 ' HE2' ' CG2' ' G' ' 18' ' ' VAL . 0.1 OUTLIER -136.0 -168.01 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.611 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 38.2 tt0 -110.54 -95.72 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 22.4 tptt -41.1 -87.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.745 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -146.82 145.56 29.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' G' ' 18' ' ' VAL . 1.2 p -147.49 145.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -153.93 151.07 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.389 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.726 ' H ' ' HB3' ' I' ' 20' ' ' PHE . 0.4 OUTLIER 174.47 -173.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 111.396 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.34 99.57 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.147 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.45 ' OE1' ' OH ' ' I' ' 10' ' ' TYR . 63.5 mm-40 -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 18.3 t0 -141.12 121.92 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -92.3 179.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.448 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 90.43 -112.18 4.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -148.06 161.75 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.416 ' HB3' ' H ' ' G' ' 28' ' ' LYS . 9.6 t30 -80.29 175.81 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -137.28 169.63 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 92.85 0.86 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.457 ' HB2' ' H ' ' H' ' 31' ' ' ILE . . . -156.99 -150.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.563 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.457 ' H ' ' HB2' ' H' ' 30' ' ' ALA . 8.6 mt -145.42 144.8 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.01 145.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' H' ' 34' ' ' LEU . . . -148.05 145.74 14.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' H' ' 33' ' ' GLY . 4.4 mp -147.98 146.93 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.7 mtt -147.29 145.03 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.49 HG22 ' CG ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -150.65 150.46 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.78 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.06 147.09 17.2 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.17 123.75 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -141.36 107.98 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' I' ' 6' ' ' HIS . 87.3 m-85 -79.25 171.45 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -60.57 74.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' I' ' 4' ' ' PHE . 15.4 m-70 -106.3 -169.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' I' ' 8' ' ' SER . 59.3 m-20 -80.51 -100.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.422 ' O ' ' O ' ' I' ' 7' ' ' ASP . 5.9 m 60.39 129.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.12 146.49 15.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.798 ' C ' ' O ' ' J' ' 10' ' ' TYR . 2.4 t80 -144.95 144.69 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' I' ' 10' ' ' TYR . 36.9 mt-10 -145.24 143.22 30.14 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.676 ' HB ' ' H ' ' J' ' 12' ' ' VAL . 1.1 t -115.67 149.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.308 . . . . 0.0 110.434 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' H ' ' I' ' 14' ' ' HIS . 8.8 t-160 -153.68 172.56 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.546 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.828 ' CD2' ' H ' ' I' ' 15' ' ' GLN . 53.8 t60 -177.25 -174.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.828 ' H ' ' CD2' ' I' ' 14' ' ' HIS . 3.4 tp-100 -119.48 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' J' ' 16' ' ' LYS . 4.9 tmtt? -79.95 -77.0 0.2 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.932 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.0 pp -147.81 145.32 28.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.609 ' CG2' ' CE1' ' I' ' 20' ' ' PHE . 2.9 p -148.18 146.87 17.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.453 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.842 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -154.91 151.87 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.726 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.19 -168.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.94 146.08 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' J' ' 23' ' ' ASP . 3.5 mm-40 -125.23 110.75 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.638 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.518 ' OD1' ' ND2' ' J' ' 27' ' ' ASN . 25.5 t70 -135.87 117.2 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.198 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 m -113.22 -175.95 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' H' ' 3' ' ' GLU . . . 89.34 -104.83 3.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -147.72 114.62 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' H' ' 23' ' ' ASP . 2.2 m-80 -75.12 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -106.05 170.12 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.28 102.96 1.99 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.426 ' H ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.4 -141.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.89 144.14 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -146.92 145.03 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.448 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -152.29 149.54 21.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 1.4 mp -153.63 152.77 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -149.17 148.06 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' D' ' 35' ' ' MET . 0.2 OUTLIER -149.57 147.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.345 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.32 152.34 23.99 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.24 147.64 18.23 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' I' ' 39' ' ' VAL . 5.3 p -123.87 127.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.312 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.5 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.83 121.51 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.43 -49.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' J' ' 4' ' ' PHE . 78.5 t80 -75.58 -1.06 22.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -73.38 -53.51 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . 0.539 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.4 p-80 -150.46 -175.82 5.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.64 114.15 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -2.56 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.54 -165.63 38.78 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.798 ' O ' ' C ' ' I' ' 10' ' ' TYR . 0.7 OUTLIER -163.93 163.97 23.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.958 0.409 . . . . 0.0 110.965 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.585 ' HA ' ' N ' ' I' ' 12' ' ' VAL . 1.1 pm0 -154.41 151.87 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.331 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.676 ' H ' ' HB ' ' I' ' 12' ' ' VAL . 0.4 OUTLIER 81.86 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 7.2 t-160 -149.0 42.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.9 t60 85.26 114.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.548 ' CD ' ' H ' ' J' ' 16' ' ' LYS . 0.2 OUTLIER -167.35 178.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' I' ' 16' ' ' LYS . 63.2 mmtt -128.72 140.18 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.932 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 4.1 mm? 61.26 70.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.14 145.51 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.842 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 13.5 t80 -153.24 151.67 30.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -171.25 170.85 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.026 0.441 . . . . 0.0 111.216 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.04 104.36 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -86.63 102.9 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.629 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' I' ' 22' ' ' GLU . 53.3 t0 -135.22 119.37 17.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.51 -174.1 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -93.55 1.78 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -137.13 117.35 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OD1' ' I' ' 23' ' ' ASP . 1.8 m120 -78.62 170.32 16.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -107.58 137.66 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.49 92.53 1.51 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.31 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.606 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -148.47 147.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.27 146.72 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.97 151.36 23.09 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -154.35 153.95 32.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.701 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.32 146.39 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' I' ' 36' ' ' VAL . 0.0 OUTLIER -154.11 153.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.565 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.09 156.16 26.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.67 149.97 21.8 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.24 135.68 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.567 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.88 153.05 24.56 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -149.43 148.08 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -152.48 150.57 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.1 154.9 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.574 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -177.05 126.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.709 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.7 t-80 -166.0 -150.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.709 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 mt-30 -134.24 -173.85 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 61.1 mttm 50.02 -103.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -146.81 145.07 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.258 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -148.96 147.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -152.88 151.28 30.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.798 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 30.9 m-85 -157.65 157.15 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.32 109.76 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.418 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.03 175.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.704 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 21.5 p-10 -108.23 142.87 37.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.42 107.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.534 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.74 -97.06 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -138.23 123.5 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' OD1' ' OD1' ' A' ' 23' ' ' ASP . 3.2 m-80 -88.51 131.67 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -93.97 -165.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 92.58 0.3 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.21 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.492 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -146.91 145.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -148.84 147.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.37 149.69 21.5 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.03 149.29 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 tpt -148.8 146.45 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.435 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 11.8 m -149.62 149.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.659 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 148.87 20.48 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.07 151.67 23.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 8.5 p -120.7 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.594 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.557 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.4 -143.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.57 124.33 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -165.16 95.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.466 ' O ' ' CD2' ' B' ' 6' ' ' HIS . 17.6 ttm180 -151.37 -42.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' B' ' 5' ' ' ARG . 30.4 m80 -154.26 177.75 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.95 165.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.618 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -143.36 135.05 26.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -155.29 154.35 25.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 13.5 m-85 -149.22 147.63 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' HE2' ' B' ' 13' ' ' HIS . 10.6 pt-20 -149.26 147.52 28.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -113.75 140.71 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.408 ' HE2' ' HB2' ' B' ' 11' ' ' GLU . 72.2 m-70 -148.83 166.37 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.482 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.626 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 6.3 t-80 -174.05 -149.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.626 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 61.8 mt-30 -148.35 -32.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 6.1 mptp? -111.0 -85.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.43 144.87 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.231 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.518 HG23 ' CG ' ' B' ' 14' ' ' HIS . 71.8 t -151.59 150.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.59 156.73 28.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.798 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.06 -168.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 111.315 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 117.11 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.181 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -91.55 129.71 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 18.8 t70 -144.89 111.2 5.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.185 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -178.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.625 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 -96.41 2.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -157.4 116.23 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -74.75 158.81 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 175.56 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.26 95.56 0.3 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.403 ' HB3' ' H ' ' B' ' 31' ' ' ILE . . . -147.48 -160.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.427 HD11 HG21 ' B' ' 31' ' ' ILE . 77.0 mt -145.39 144.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.204 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -146.75 145.05 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.77 151.49 23.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 1.7 pt? -159.3 158.53 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 12.4 ttt -150.94 149.06 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.328 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.413 HG12 ' H ' ' C' ' 36' ' ' VAL . 32.2 m -150.59 150.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.06 151.03 22.88 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.14 20.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' VAL . 92.6 t -103.98 117.89 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 39' ' ' VAL . 89.3 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . 0.456 ' H1 ' ' H ' ' C' ' 2' ' ' ALA . 11.0 t70 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . 0.456 ' H ' ' H1 ' ' C' ' 1' ' ' ASP . . . -164.99 107.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.73 0.3 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 2.4 p -149.41 146.86 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -156.77 155.08 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.536 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 172.32 -171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 111.172 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.28 124.01 41.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.24 118.32 31.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -140.46 106.65 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.488 HG13 ' H ' ' C' ' 25' ' ' GLY . 0.5 OUTLIER -117.94 173.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.488 ' H ' HG13 ' C' ' 24' ' ' VAL . . . 92.26 -82.78 1.16 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -155.63 136.34 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.525 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 61.8 t30 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -136.31 157.07 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.69 88.62 1.57 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' D' ' 30' ' ' ALA . . . -154.11 -138.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.731 0.3 . . . . 0.0 110.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 mt -145.33 144.31 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.41 145.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.429 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.472 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -149.62 147.28 17.43 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.49 HD12 ' N ' ' C' ' 34' ' ' LEU . 2.9 mp -148.96 147.59 28.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.3 mtm -148.64 146.59 28.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.371 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.413 ' H ' HG12 ' B' ' 36' ' ' VAL . 33.9 m -153.6 153.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.728 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.49 151.75 23.47 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.94 18.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.2 147.45 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' C' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.595 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.699 0.285 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.36 148.94 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.607 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 11.6 t80 -152.92 149.82 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.226 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 176.27 -175.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.092 0.473 . . . . 0.0 111.33 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.42 127.48 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.437 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -101.0 117.45 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.15 112.8 9.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.42 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -122.92 -175.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.42 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 90.37 -99.78 2.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 115.41 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.0 159.83 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.492 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.564 ' CD ' ' N ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -108.28 159.37 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.67 102.31 1.19 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . -157.4 -140.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.537 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -144.83 143.88 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -147.24 145.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.71 18.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mp -148.67 147.05 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.444 ' O ' ' HA ' ' E' ' 35' ' ' MET . 11.2 ttt -149.64 146.87 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -154.04 153.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.69 153.16 24.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.14 19.11 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.93 130.66 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.586 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 29.3 t80 -151.99 149.26 28.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.282 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.91 163.31 23.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.29 98.41 6.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.321 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -79.96 98.21 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -126.34 119.33 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.433 HG13 ' H ' ' E' ' 25' ' ' GLY . 2.6 t -150.67 172.42 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.433 ' H ' HG13 ' E' ' 24' ' ' VAL . . . 100.92 -83.91 0.53 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -141.11 115.6 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.14 -178.57 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.68 144.18 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.24 101.01 2.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . -165.66 -114.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.479 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -146.11 145.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -147.46 146.1 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 148.68 20.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.26 148.93 29.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' D' ' 35' ' ' MET . 15.5 ptt? -152.88 149.95 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' E' ' 35' ' ' MET . 21.2 m -157.18 156.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.0 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.05 150.61 22.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.44 128.75 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.604 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -150.31 148.49 28.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 147.24 28.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.52 152.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.695 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -176.88 147.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.651 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 0.8 OUTLIER -173.6 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.651 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.3 mm100 -139.2 -178.87 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 56.4 mttp 42.9 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 15' ' ' GLN . 2.2 pp -146.62 144.86 29.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.268 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.96 145.63 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' F' ' 20' ' ' PHE . 3.4 p90 -149.57 147.47 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.761 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 28.9 m-85 -153.37 152.47 31.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.48 100.87 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 178.93 174.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' G' ' 27' ' ' ASN . 22.6 p-10 -102.23 146.78 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 159.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.86 -95.72 2.12 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.608 ' HG ' ' N ' ' F' ' 27' ' ' ASN . 41.0 t -140.16 160.35 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.608 ' N ' ' HG ' ' F' ' 26' ' ' SER . 4.4 t-20 -85.05 165.81 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.519 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 0.6 OUTLIER -129.97 -171.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.404 ' H ' ' HG3' ' F' ' 28' ' ' LYS . . . -72.42 89.38 0.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' ND2' ' G' ' 27' ' ' ASN . . . -157.16 -165.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -146.0 144.16 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.155 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 pt -150.92 149.72 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.728 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 148.96 20.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' F' ' 34' ' ' LEU . 1.4 pt? -150.37 148.61 29.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttm -149.62 146.25 27.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.288 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.493 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 19.4 m -151.62 152.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.796 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.96 149.59 21.32 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.98 22.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.67 134.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.582 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.87 179.26 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.7 120.11 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -59.96 -173.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.622 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.8 108.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' H' ' 6' ' ' HIS . 91.8 m-70 -140.74 -179.02 5.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.2 89.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -105.95 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . 0.507 ' C ' ' CG ' ' G' ' 10' ' ' TYR . . . -158.83 156.86 27.9 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.1 OUTLIER -153.73 154.14 33.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.63 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -151.96 149.36 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -118.32 108.32 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.45 91.77 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.764 ' ND1' ' N ' ' G' ' 15' ' ' GLN . 42.2 t-80 -128.26 161.24 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.537 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.764 ' N ' ' ND1' ' G' ' 14' ' ' HIS . 9.5 mt-30 -101.66 -158.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 20.2 mmtp 39.0 -104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 145.08 30.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.478 ' H ' HG22 ' H' ' 18' ' ' VAL . 3.7 p -152.47 150.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.525 ' CE2' ' CG1' ' G' ' 36' ' ' VAL . 0.5 OUTLIER -158.51 156.23 29.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.581 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.761 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 167.45 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 0.0 111.221 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.13 16.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.097 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.02 134.62 40.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.44 ' HA ' ' O ' ' H' ' 23' ' ' ASP . 15.0 t70 -148.92 119.92 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.252 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.406 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 3.9 m -84.98 176.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.656 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.65 -123.11 6.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.97 153.14 46.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.529 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.535 ' N ' ' OD2' ' F' ' 23' ' ' ASP . 61.3 t30 -81.85 160.68 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -175.75 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.49 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 90.29 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.421 ' C ' ' CD1' ' G' ' 31' ' ' ILE . . . -152.02 -168.05 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.595 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.421 ' CD1' ' C ' ' G' ' 30' ' ' ALA . 4.6 mp -146.46 145.65 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.214 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.69 146.24 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 147.61 18.16 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 2.1 pt? -153.07 150.71 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.543 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -152.65 150.59 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.604 HG13 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -153.06 153.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.689 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 149.99 21.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 148.31 19.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.451 ' O ' ' OXT' ' G' ' 40' ' ' VAL . 67.9 t -106.38 126.75 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.544 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.451 ' OXT' ' O ' ' G' ' 39' ' ' VAL . 87.8 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.87 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.492 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.27 92.93 9.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.25 -97.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -98.49 97.28 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.557 ' C ' ' H ' ' H' ' 8' ' ' SER . 57.1 m80 -148.37 92.89 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.58 35.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.557 ' H ' ' C ' ' H' ' 6' ' ' HIS . 69.8 m -65.08 171.99 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.91 153.92 25.14 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' G' ' 10' ' ' TYR . 74.9 t80 -146.89 145.43 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.686 0.279 . . . . 0.0 110.338 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' I' ' 13' ' ' HIS . 14.4 tt0 -148.5 147.09 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.528 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.19 148.8 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' I' ' 13' ' ' HIS . 36.9 t60 -168.39 132.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.611 ' H ' ' NE2' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -160.46 -155.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.779 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.541 ' O ' ' C ' ' H' ' 16' ' ' LYS . 28.4 mt-30 -132.5 -158.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' H' ' 15' ' ' GLN . 3.7 tttp 26.65 -94.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' H' ' 15' ' ' GLN . 5.3 tt -147.57 145.36 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.402 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.491 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 38.1 t -150.18 147.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.682 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -157.09 155.38 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.689 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER 173.15 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.213 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.37 122.39 39.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.318 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 3.1 mp0 -97.55 111.35 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' G' ' 23' ' ' ASP . 46.5 t0 -135.67 111.82 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.416 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.93 179.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.406 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 87.09 -114.16 4.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 67.4 p -142.23 129.84 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.579 ' CG ' ' H ' ' H' ' 28' ' ' LYS . 49.6 t30 -70.15 -178.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.579 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -138.65 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.7 92.17 0.79 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.407 ' HB3' ' H ' ' H' ' 31' ' ' ILE . . . -150.59 -154.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.407 ' H ' ' HB3' ' H' ' 30' ' ' ALA . 14.1 mt -145.65 144.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.208 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.98 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -153.77 150.97 22.75 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -157.33 156.48 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' H' ' 35' ' ' MET . 4.6 ppp? -149.62 149.08 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.604 ' H ' HG13 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.69 147.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.63 148.77 20.3 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.78 148.14 19.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.98 141.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.532 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -80.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.96 86.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -82.51 46.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -159.01 151.89 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 4.5 p80 -102.15 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p30 179.21 -169.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.855 ' O ' ' N ' ' J' ' 8' ' ' SER . 68.4 m 59.32 159.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -166.65 163.59 37.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' J' ' 10' ' ' TYR . 44.4 m-85 -147.58 149.25 32.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.658 0.266 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.819 ' HA ' ' HA ' ' J' ' 11' ' ' GLU . 0.9 OUTLIER -146.83 143.7 28.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.83 ' N ' ' H ' ' J' ' 12' ' ' VAL . 14.3 m -115.16 107.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.666 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' H' ' 13' ' ' HIS . 9.7 m170 -40.28 -102.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' I' ' 15' ' ' GLN . 7.8 p80 178.19 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.611 ' NE2' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER 85.58 169.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' I' ' 15' ' ' GLN . 8.1 mmtp -20.58 -84.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.451 HD11 ' H ' ' I' ' 18' ' ' VAL . 66.4 tp -146.37 144.02 29.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.242 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.451 ' H ' HD11 ' I' ' 17' ' ' LEU . 1.8 t -147.65 146.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.547 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 13.0 t80 -152.6 149.29 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 10.5 p90 175.11 -173.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.164 0.507 . . . . 0.0 111.373 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.47 126.33 47.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.64 117.94 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.692 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 9.6 t0 -142.06 113.38 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.371 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.78 -173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.17 -98.14 2.34 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -146.81 114.79 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.88 177.76 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -126.46 166.12 17.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.39 97.32 1.8 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' J' ' 30' ' ' ALA . . . -151.48 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.659 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.43 HG22 HD12 ' I' ' 31' ' ' ILE . 49.0 mt -145.1 144.62 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.264 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.9 145.2 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' I' ' 34' ' ' LEU . . . -150.92 148.55 19.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.441 ' C ' ' SD ' ' I' ' 35' ' ' MET . 5.8 mp -150.64 149.39 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.573 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -148.02 146.45 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' H' ' 36' ' ' VAL . 0.0 OUTLIER -148.75 147.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.536 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.4 149.12 20.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 149.75 21.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.13 119.91 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' J' ' 40' ' ' VAL . 87.6 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.608 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.27 34.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.05 41.82 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -140.88 -79.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -46.06 166.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' J' ' 6' ' ' HIS . 25.7 m-70 -60.1 -120.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' I' ' 8' ' ' SER . 12.2 m-20 51.98 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.855 ' N ' ' O ' ' I' ' 8' ' ' SER . 0.0 OUTLIER -35.79 159.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.69 73.07 0.58 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' I' ' 10' ' ' TYR . 27.1 t80 -149.24 146.85 27.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.819 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -144.56 140.69 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.83 ' H ' ' N ' ' I' ' 12' ' ' VAL . 1.8 t -64.43 -65.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.583 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.659 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 3.5 t-160 60.84 97.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 18.3 m80 -169.59 -172.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.544 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.556 ' O ' ' C ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER 48.69 170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' J' ' 15' ' ' GLN . 25.7 mmtp 23.91 -117.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.714 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.407 HD12 ' H ' ' J' ' 18' ' ' VAL . 66.6 tp -148.47 145.98 28.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' J' ' 20' ' ' PHE . 83.0 t -150.22 148.58 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 10.2 t80 -155.26 153.24 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' J' ' 20' ' ' PHE . 0.0 OUTLIER 172.58 -171.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 111.172 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.34 111.14 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -88.79 88.7 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.6 115.29 25.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.364 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 -176.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.06 -89.88 1.56 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 55.1 p -143.62 117.17 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.746 ' ND2' ' H ' ' J' ' 28' ' ' LYS . 0.3 OUTLIER -92.59 169.14 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.746 ' H ' ' ND2' ' J' ' 27' ' ' ASN . 0.1 OUTLIER -105.78 153.85 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 105.73 3.15 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -165.03 -120.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.623 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 19.0 pt -146.74 145.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.26 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.66 146.41 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 148.56 19.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.401 ' CD1' ' H ' ' J' ' 35' ' ' MET . 0.1 OUTLIER -149.94 148.98 29.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.51 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.67 145.54 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.2 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.44 153.44 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.76 153.58 24.9 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.71 148.87 20.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 m -123.92 147.64 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' I' ' 40' ' ' VAL . 48.2 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.712 ' O ' ' HB2' ' A' ' 10' ' ' TYR . . . -151.01 148.67 20.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.712 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER 161.26 -158.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.111 0.481 . . . . 0.0 110.9 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -146.35 147.08 30.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.752 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.755 ' HB ' ' O ' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -114.72 147.52 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.933 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.66 ' CA ' ' HA ' ' B' ' 14' ' ' HIS . 4.2 p80 -165.87 130.9 2.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.714 ' ND1' ' CE1' ' B' ' 14' ' ' HIS . 10.8 m80 -157.46 -148.03 0.2 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.585 ' O ' ' CB ' ' B' ' 15' ' ' GLN . 57.7 mt-30 -128.55 162.37 27.41 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 1.043 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 10.3 ptpp? -25.02 140.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 1.432 ' O ' ' CB ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER 155.1 -151.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 179.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.942 HG23 ' N ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -164.68 166.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.418 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.942 ' N ' HG23 ' A' ' 18' ' ' VAL . 2.6 t80 178.22 -179.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 111.014 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.853 ' CD1' ' HA ' ' B' ' 20' ' ' PHE . 54.0 m-85 -172.58 171.62 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.85 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' B' ' 21' ' ' ALA . . . -173.5 -146.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.5 pm0 -160.63 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.546 ' CB ' ' H ' ' B' ' 27' ' ' ASN . 3.6 t0 -47.18 88.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' GLU . 3.9 p -52.46 124.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.5 -52.24 0.71 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -154.18 163.27 40.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.39 104.66 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 11.1 tptp -97.32 -148.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.512 ' H ' ' CG ' ' A' ' 28' ' ' LYS . . . -65.31 88.73 0.1 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' B' ' 30' ' ' ALA . . . -157.59 135.8 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.422 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 1.367 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 1.5 mm -70.68 -64.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.798 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.281 ' CG2' ' H ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 152.01 -147.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.146 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 1.281 ' H ' ' CG2' ' A' ' 32' ' ' ILE . . . 155.37 -156.98 27.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 1.034 ' N ' ' HB3' ' B' ' 34' ' ' LEU . 15.6 tp -146.61 145.07 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 1.326 ' HA ' ' O ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -146.21 147.0 31.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.443 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.98 ' CG2' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER 68.02 70.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.765 ' H ' ' H ' ' B' ' 37' ' ' GLY . . . -139.35 137.71 8.77 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.658 ' HA3' ' HA2' ' B' ' 38' ' ' GLY . . . 152.84 -149.25 20.82 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.706 ' O ' ' O ' ' B' ' 38' ' ' GLY . 26.4 t -102.4 160.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 15.2 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.673 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 -101.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.49 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -66.02 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 6' ' ' HIS . 67.3 mtp85 -80.21 -116.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 5' ' ' ARG . 4.8 m-70 49.75 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.74 145.2 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.55 86.66 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.51 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -151.8 149.96 21.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 10' ' ' TYR . 31.8 m-85 -141.2 141.45 34.06 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.836 ' O ' ' CG1' ' B' ' 12' ' ' VAL . 18.3 tt0 -64.71 -72.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.106 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.836 ' CG1' ' O ' ' B' ' 11' ' ' GLU . 7.9 p 119.43 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 110.381 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.755 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 52.6 t-80 -105.97 160.28 15.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.591 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.714 ' CE1' ' ND1' ' A' ' 14' ' ' HIS . 3.1 t60 175.9 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.424 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' B' ' 14' ' ' HIS . 29.2 mt-30 -53.51 -145.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.191 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 1.043 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 22.6 tttp -136.86 -34.05 0.75 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.573 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 1.432 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.9 mm? -66.31 -70.87 0.22 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.223 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 1.267 ' CB ' ' HB ' ' C' ' 18' ' ' VAL . 0.7 OUTLIER -141.05 140.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 121.985 -0.447 . . . . 0.0 110.246 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 1.081 ' CE2' ' CE2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -65.88 -77.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.905 ' CD2' ' HB3' ' A' ' 19' ' ' PHE . 1.1 m-85 155.37 -151.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 1.144 ' HA ' ' CE1' ' C' ' 20' ' ' PHE . . . -147.23 117.7 7.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -169.74 123.73 0.77 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 5.2 p-10 -93.78 167.01 11.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.065 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 m -73.53 155.23 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 -92.37 0.17 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.523 ' CB ' ' OD2' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -147.43 156.01 42.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.652 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.546 ' H ' ' CB ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -127.52 89.32 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.519 ' H ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.29 98.36 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.067 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.579 ' HA3' ' HB ' ' C' ' 31' ' ' ILE . . . -126.13 -137.45 4.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 1.027 ' N ' ' O ' ' C' ' 30' ' ' ALA . . . -128.73 -72.4 0.61 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.576 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 1.367 ' HB ' ' CB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -146.51 146.0 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.477 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 1.091 ' CG2' ' O ' ' B' ' 31' ' ' ILE . 1.9 pp 146.99 -146.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.881 ' N ' HD13 ' B' ' 32' ' ' ILE . . . 63.93 72.11 0.74 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.382 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 1.034 ' HB3' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 177.62 -178.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 0.0 111.103 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 1.326 ' O ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER 175.65 -171.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.282 0.563 . . . . 0.0 111.457 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.724 ' N ' ' HG3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -156.17 148.88 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.221 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.765 ' H ' ' H ' ' A' ' 37' ' ' GLY . . . -138.91 141.1 11.55 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.706 ' O ' ' O ' ' A' ' 39' ' ' VAL . . . -60.26 -77.42 0.18 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.456 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.797 HG22 ' H ' ' C' ' 40' ' ' VAL . 1.4 m -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.964 0.411 . . . . 0.0 110.975 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.625 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' C' ' 1' ' ' ASP . 22.5 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.18 -56.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.951 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 1.267 ' HB ' ' CB ' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.04 -78.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 1.048 ' H ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER 69.59 70.88 0.24 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.025 -179.577 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 1.144 ' CE1' ' HA ' ' B' ' 21' ' ' ALA . 5.1 p90 -63.24 -73.76 0.11 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.872 0.367 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 1.071 ' HB1' ' O ' ' D' ' 21' ' ' ALA . . . 162.37 -156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' D' ' 22' ' ' GLU . 0.3 OUTLIER 171.91 104.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' C' ' 24' ' ' VAL . 0.7 OUTLIER -88.74 168.24 12.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' C' ' 23' ' ' ASP . 2.1 p -35.54 143.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.604 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.54 -49.97 6.98 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -85.6 102.99 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.489 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.665 ' ND2' ' N ' ' C' ' 28' ' ' LYS . 1.6 t30 -109.63 168.34 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.665 ' N ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -127.82 89.53 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' D' ' 31' ' ' ILE . . . -176.4 -175.65 43.92 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 1.027 ' O ' ' N ' ' B' ' 30' ' ' ALA . . . -72.6 -26.65 61.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 1.048 ' H ' ' CG2' ' D' ' 31' ' ' ILE . 9.3 tp 150.68 -152.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.961 ' N ' HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -148.78 143.97 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.747 ' N ' HG13 ' D' ' 32' ' ' ILE . . . -149.48 151.1 23.27 Favored Glycine 0 N--CA 1.46 0.281 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.526 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.892 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -141.98 137.45 31.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 1.052 ' HA ' ' HB2' ' B' ' 35' ' ' MET . 1.3 tmt? -143.94 144.99 31.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.869 ' HB ' ' O ' ' C' ' 35' ' ' MET . 1.8 p 158.06 -154.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 155.76 -156.16 26.82 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . 1.139 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -151.41 148.09 18.76 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.205 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.674 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 1.5 t -108.29 119.11 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.287 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.797 ' H ' HG22 ' B' ' 39' ' ' VAL . 41.5 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.57 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 1.036 ' O ' HG12 ' D' ' 18' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.234 0.287 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 1.036 HG12 ' O ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 172.71 -173.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 119.918 -0.713 . . . . 0.0 112.208 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 1.052 ' O ' ' CG ' ' D' ' 19' ' ' PHE . 0.0 OUTLIER 72.76 69.77 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.041 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 1.175 ' HA ' ' CB ' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -146.83 140.06 25.49 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . 1.071 ' O ' ' HB1' ' C' ' 21' ' ' ALA . . . 112.41 98.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.682 ' HA ' ' HB ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER 75.81 176.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.507 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.909 ' HA ' ' CG ' ' E' ' 22' ' ' GLU . 0.0 OUTLIER -116.85 -154.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.625 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.12 61.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.418 ' HA3' HD22 ' E' ' 27' ' ' ASN . . . 147.48 -22.61 1.52 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.698 ' OG ' ' N ' ' E' ' 29' ' ' GLY . 0.0 OUTLIER -157.32 175.79 13.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.745 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.912 ' HB3' ' C ' ' E' ' 31' ' ' ILE . 76.8 m-20 -156.57 -115.7 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 1.248 ' N ' ' H ' ' E' ' 31' ' ' ILE . 20.8 mtpt -179.8 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.542 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 1.133 ' C ' ' HB ' ' E' ' 31' ' ' ILE . . . -34.1 -125.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.262 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 1.257 ' C ' HG12 ' E' ' 31' ' ' ILE . . . -112.92 36.69 3.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 1.048 ' CG2' ' H ' ' C' ' 31' ' ' ILE . 3.3 tp 53.34 68.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.989 ' CG1' ' H ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER 161.41 -163.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.347 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.989 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 69.67 71.49 0.99 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.536 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.93 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -143.75 139.55 29.49 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.761 ' N ' ' CD2' ' D' ' 34' ' ' LEU . 1.7 mpt? -152.89 152.13 31.16 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.866 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.7 OUTLIER -172.29 172.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.003 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' C' ' 37' ' ' GLY . . . 63.74 68.2 1.75 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 1.139 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -63.85 -72.37 0.7 Allowed Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.822 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.674 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 0.1 OUTLIER -120.12 152.29 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 110.715 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.487 ' OXT' ' O ' ' C' ' 40' ' ' VAL . 87.2 t . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.695 ' O ' ' CD1' ' E' ' 19' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.458 -0.061 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 1.136 ' C ' ' CD2' ' E' ' 20' ' ' PHE . 1.0 OUTLIER 159.06 -152.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.709 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 1.136 ' CD2' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 52.5 67.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.026 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . 1.175 ' CB ' ' HA ' ' D' ' 20' ' ' PHE . . . -171.51 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . 0.909 ' CG ' ' HA ' ' D' ' 23' ' ' ASP . 1.0 OUTLIER -166.7 -170.45 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.913 -178.79 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.556 ' O ' ' CD ' ' E' ' 22' ' ' GLU . 3.1 p30 -96.76 -155.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.494 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' E' ' 26' ' ' SER . 28.9 m -74.51 -153.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.372 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.49 43.78 0.34 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.511 ' H ' ' C ' ' E' ' 24' ' ' VAL . 7.5 t -145.61 115.7 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.418 HD22 ' HA3' ' D' ' 25' ' ' GLY . 0.1 OUTLIER -152.08 160.3 43.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.461 ' N ' ' OG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -147.04 97.83 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.809 ' HA3' ' O ' ' D' ' 27' ' ' ASN . . . 174.3 -165.68 37.33 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.712 ' O ' HG13 ' E' ' 31' ' ' ILE . . . -131.97 -10.0 3.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.662 0.268 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 1.257 HG12 ' C ' ' D' ' 30' ' ' ALA . 3.8 mp -161.94 159.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.432 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.742 ' O ' ' O ' ' D' ' 32' ' ' ILE . 0.9 OUTLIER -151.55 151.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 110.958 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.718 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -146.16 142.24 10.36 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.93 ' O ' HD22 ' D' ' 34' ' ' LEU . 0.4 OUTLIER -145.03 145.48 31.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.845 ' O ' ' CG1' ' E' ' 36' ' ' VAL . 0.4 OUTLIER -143.56 140.9 30.45 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.866 ' O ' ' HA ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER 159.86 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 121.153 0.502 . . . . 0.0 110.432 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.68 ' HA2' ' H ' ' D' ' 37' ' ' GLY . . . 160.14 -160.68 31.88 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.379 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' D' ' 39' ' ' VAL . . . -151.23 150.29 22.21 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 40' ' ' VAL . 2.3 m -92.6 114.02 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 39' ' ' VAL . 3.0 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.6 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' OE2' ' F' ' 22' ' ' GLU . 0.4 OUTLIER -152.78 151.07 30.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.5 148.59 29.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.22 96.09 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 8.3 t-80 -107.51 111.2 23.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 32.4 m-70 -164.16 -173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.424 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 6.7 mt-30 -139.92 -168.55 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.9 tttt 63.55 -117.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.619 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.1 pp -152.46 149.65 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.184 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.749 ' CG2' ' H ' ' F' ' 19' ' ' PHE . 8.5 p 170.69 -170.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.062 0.458 . . . . 0.0 111.263 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.749 ' H ' ' CG2' ' F' ' 18' ' ' VAL . 1.1 p90 -151.01 151.57 32.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.077 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.886 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 34.1 m-85 -152.73 150.59 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.12 110.41 22.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CD2' ' F' ' 10' ' ' TYR . 1.5 tp10 -82.79 106.94 15.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -141.42 104.34 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' G' ' 25' ' ' GLY . 6.3 m -74.52 145.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.57 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.79 -106.79 3.4 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -155.39 157.82 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -78.01 123.99 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' G' ' 1' ' ' ASP . 47.9 mmtt -81.49 -172.7 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.08 89.42 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.1 179.41 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.631 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 1.5 mt -147.61 146.17 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.333 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.761 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 2.1 pp -145.04 144.24 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.261 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.894 ' O ' ' HB2' ' F' ' 34' ' ' LEU . . . -158.89 155.96 27.02 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 1.001 ' HB3' ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER 150.03 -150.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 1.176 ' O ' ' CA ' ' G' ' 35' ' ' MET . 19.4 mtm -154.16 150.55 28.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.256 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -148.59 150.2 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.738 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . 66.45 71.12 0.96 Allowed Glycine 0 C--O 1.224 -0.485 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . 1.094 ' O ' ' HA3' ' G' ' 38' ' ' GLY . . . -146.43 142.05 10.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.998 ' HA ' ' H ' ' G' ' 39' ' ' VAL . 2.9 m -128.44 -110.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.913 0.387 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' F' ' 28' ' ' LYS . 20.4 t0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.67 166.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -88.34 -154.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -152.15 160.47 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 59.56 -135.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . 0.51 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.0 OUTLIER -156.81 -144.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . 0.51 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 19.4 t70 56.2 103.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' G' ' 7' ' ' ASP . 5.2 m -167.25 149.45 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . 0.508 ' C ' ' CD1' ' G' ' 10' ' ' TYR . . . -158.98 157.13 28.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' G' ' 9' ' ' GLY . 10.3 m-85 -151.09 150.61 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.74 150.7 30.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' OH ' ' H' ' 10' ' ' TYR . 16.2 m -119.9 144.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' G' ' 14' ' ' HIS . 22.4 t-80 -154.71 155.2 34.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.465 ' N ' ' CG ' ' G' ' 13' ' ' HIS . 0.1 OUTLIER -167.51 -157.15 0.22 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -133.17 -100.81 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.813 ' O ' ' HB2' ' H' ' 16' ' ' LYS . 3.6 tttm -40.45 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -143.38 141.52 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.59 147.52 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.853 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.2 OUTLIER -158.76 156.84 30.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.886 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 170.75 -169.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.44 111.68 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' G' ' 22' ' ' GLU . 1.0 OUTLIER -93.91 106.8 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.568 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' G' ' 23' ' ' ASP . 0.3 OUTLIER -134.2 121.3 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.461 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.567 ' N ' HG12 ' H' ' 24' ' ' VAL . 32.0 m -90.6 -171.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.443 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 64.44 -86.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -158.7 160.28 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 110.539 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -69.18 170.8 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' G' ' 28' ' ' LYS . 0.1 OUTLIER -99.85 139.16 35.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.651 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' H' ' 28' ' ' LYS . . . -75.53 83.49 0.89 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -163.28 -134.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.417 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.631 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 24.0 mt -142.19 140.74 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 1.01 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 4.8 mp -145.48 144.05 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.481 ' O ' ' HA2' ' H' ' 33' ' ' GLY . . . -145.1 143.02 11.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 1.001 ' O ' ' HB3' ' F' ' 34' ' ' LEU . 0.3 OUTLIER -146.91 145.04 29.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.711 -179.6 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 1.214 ' O ' ' HB3' ' H' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.45 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.823 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 1.136 ' CG2' ' H ' ' H' ' 36' ' ' VAL . 1.0 OUTLIER 151.99 -149.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.738 ' O ' ' HA2' ' F' ' 37' ' ' GLY . . . 64.14 69.6 1.29 Allowed Glycine 0 C--O 1.221 -0.684 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . 1.094 ' HA3' ' O ' ' F' ' 38' ' ' GLY . . . 147.17 -142.81 10.62 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.998 ' H ' ' HA ' ' F' ' 39' ' ' VAL . 90.9 t -86.3 -82.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.941 0.4 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.706 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.7 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.541 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -167.81 99.59 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' H' ' 4' ' ' PHE . 18.0 p90 -132.63 63.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . 0.669 ' HE ' ' N ' ' H' ' 5' ' ' ARG . 3.7 mmp_? -71.8 154.46 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -84.99 -48.3 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.69 136.19 38.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m -170.23 120.53 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.26 17.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.46 ' OH ' ' CG2' ' G' ' 12' ' ' VAL . 48.2 t80 -147.55 145.88 29.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 110.413 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.64 147.95 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.434 ' CG1' ' CE2' ' H' ' 10' ' ' TYR . 3.1 m -130.34 153.16 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.998 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.53 ' C ' ' CG ' ' H' ' 14' ' ' HIS . 16.8 p80 -176.81 128.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.555 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -157.95 -155.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' H' ' 16' ' ' LYS . 1.7 tp-100 -125.06 -161.3 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.813 ' HB2' ' O ' ' G' ' 16' ' ' LYS . 12.0 mptt 36.04 -101.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.82 142.39 29.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.787 ' O ' ' CG2' ' I' ' 18' ' ' VAL . 51.9 t -151.79 148.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.766 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.776 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -159.02 159.21 34.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.718 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' H' ' 19' ' ' PHE . 0.2 OUTLIER 177.62 -177.94 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.138 0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.92 149.7 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.364 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -126.27 115.31 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -129.97 117.44 20.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.567 HG12 ' N ' ' G' ' 24' ' ' VAL . 0.0 OUTLIER -161.23 94.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.468 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.07 -96.52 0.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' H' ' 26' ' ' SER . 38.0 p -141.52 84.7 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.621 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.693 ' H ' ' NZ ' ' H' ' 28' ' ' LYS . 5.6 p30 -161.33 93.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.693 ' NZ ' ' H ' ' H' ' 27' ' ' ASN . 2.4 mptp? -140.56 84.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.21 69.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.551 ' O ' ' HB1' ' G' ' 30' ' ' ALA . . . 175.74 -140.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.602 ' O ' HG22 ' I' ' 32' ' ' ILE . 8.0 mt -145.54 144.85 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.111 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . 1.01 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 2.9 mt -145.76 144.87 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.356 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -153.77 150.02 21.61 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.662 ' O ' ' CB ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -146.67 147.2 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 1.214 ' HB3' ' O ' ' G' ' 35' ' ' MET . 0.1 OUTLIER -151.69 149.45 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.359 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 1.136 ' H ' ' CG2' ' G' ' 36' ' ' VAL . 0.4 OUTLIER -171.1 167.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 111.659 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.654 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . 63.62 68.22 1.75 Allowed Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.737 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 1.053 ' O ' ' CA ' ' I' ' 38' ' ' GLY . . . -161.18 158.56 30.24 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.86 HG11 ' N ' ' H' ' 40' ' ' VAL . 2.6 t -57.12 -87.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.581 -0.364 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . 0.86 ' N ' HG11 ' H' ' 39' ' ' VAL . 1.8 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' I' ' 1' ' ' ASP . 11.1 p-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -134.5 74.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' I' ' 2' ' ' ALA . 48.3 mt-10 58.85 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -146.26 -68.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . 0.527 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 44.3 ttp180 -153.65 102.28 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.461 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' I' ' 5' ' ' ARG . 29.4 m-70 -145.41 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.35 -96.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m 63.8 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' I' ' 10' ' ' TYR . . . -149.77 146.92 16.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.709 ' H ' ' H ' ' J' ' 10' ' ' TYR . 32.3 m-85 -145.27 145.15 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.338 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.628 ' HA ' ' O ' ' J' ' 11' ' ' GLU . 7.0 pt-20 -150.31 148.4 28.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.545 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.92 144.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.655 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' I' ' 14' ' ' HIS . 27.2 p80 -157.52 163.88 37.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.5 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.4 OUTLIER 80.97 -152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.449 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 2.2 mt-30 64.74 142.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' J' ' 16' ' ' LYS . 37.0 tttp -81.29 -58.95 2.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 1.162 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.3 pp -149.49 145.83 27.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.838 ' HB ' ' O ' ' I' ' 17' ' ' LEU . 3.7 p 159.99 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.776 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 19.3 t80 -160.16 159.37 31.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER -149.76 149.85 31.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.228 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.13 115.96 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.469 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -103.98 105.26 15.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.668 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -123.98 124.63 43.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.613 ' CG1' ' H ' ' I' ' 25' ' ' GLY . 21.4 t -148.43 179.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.613 ' H ' ' CG1' ' I' ' 24' ' ' VAL . . . 95.98 -93.75 1.58 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -146.31 110.53 5.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -90.87 177.18 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.455 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.52 ' C ' ' HB3' ' J' ' 30' ' ' ALA . 0.0 OUTLIER -83.26 -179.73 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.07 100.71 0.83 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.887 ' N ' ' HB1' ' J' ' 30' ' ' ALA . . . -179.64 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 1.034 ' H ' ' N ' ' J' ' 31' ' ' ILE . 30.7 mt -155.0 153.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-O 120.933 0.397 . . . . 0.0 110.78 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . 0.602 HG22 ' O ' ' H' ' 31' ' ' ILE . 0.1 OUTLIER -151.41 151.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.209 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.53 ' C ' ' CD2' ' I' ' 34' ' ' LEU . . . -156.59 153.52 24.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.655 ' HA ' ' CB ' ' J' ' 34' ' ' LEU . 0.1 OUTLIER -158.23 157.78 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.447 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' J' ' 35' ' ' MET . 7.2 ttt -176.16 175.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.471 . . . . 0.0 111.234 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.832 ' O ' ' HA ' ' H' ' 36' ' ' VAL . 0.0 OUTLIER 163.57 -162.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.574 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' J' ' 37' ' ' GLY . . . 59.94 68.87 1.47 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . 1.305 ' N ' ' O ' ' J' ' 37' ' ' GLY . . . -167.37 164.63 38.05 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 1.157 ' CG1' ' H ' ' I' ' 40' ' ' VAL . 9.7 p -27.07 -96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.643 0.259 . . . . 0.0 110.367 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 1.157 ' H ' ' CG1' ' I' ' 39' ' ' VAL . 11.1 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.05 118.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -156.27 0.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.53 -172.6 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 44.71 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -55.22 -74.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.92 109.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.86 36.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . 0.523 ' HA2' ' H ' ' I' ' 10' ' ' TYR . . . -155.51 155.92 26.61 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.709 ' H ' ' H ' ' I' ' 10' ' ' TYR . 1.6 t80 -60.3 -70.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.628 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 2.2 tp10 -153.72 154.26 33.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.96 95.43 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.414 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 6.4 m-70 -82.19 179.93 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.5 t60 76.06 135.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -141.51 -0.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' I' ' 16' ' ' LYS . 49.2 tttp -71.04 83.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 1.162 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 22.5 mt 60.28 69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' J' ' 19' ' ' PHE . 19.5 m -154.31 150.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' J' ' 18' ' ' VAL . 9.6 m-85 -149.53 149.78 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.307 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.62 145.37 28.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.282 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.03 112.03 23.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.32 98.77 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.468 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' CB ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -144.76 154.37 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.568 ' C ' ' H ' ' J' ' 26' ' ' SER . 5.0 m -60.42 -177.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.88 -6.37 0.12 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.568 ' H ' ' C ' ' J' ' 24' ' ' VAL . 8.7 t -93.85 83.99 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' J' ' 28' ' ' LYS . 6.5 t-20 -173.93 -142.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.503 ' H ' ' CG ' ' J' ' 27' ' ' ASN . 84.0 mttt -62.99 96.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.443 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.661 ' O ' ' HB ' ' J' ' 32' ' ' ILE . . . -145.47 -167.09 12.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.887 ' HB1' ' N ' ' I' ' 30' ' ' ALA . . . -21.95 136.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.604 0.24 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 1.034 ' N ' ' H ' ' I' ' 31' ' ' ILE . 14.1 tt 59.23 69.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.206 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.661 ' HB ' ' O ' ' J' ' 29' ' ' GLY . 0.3 OUTLIER -162.93 161.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.811 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.604 ' N ' HG22 ' J' ' 32' ' ' ILE . . . -150.72 151.13 23.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.655 ' CB ' ' HA ' ' I' ' 34' ' ' LEU . 0.1 OUTLIER -159.77 156.52 27.74 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.151 0.501 . . . . 0.0 110.22 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' I' ' 35' ' ' MET . 0.0 OUTLIER 162.83 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.536 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.944 HG21 ' O ' ' J' ' 35' ' ' MET . 1.3 m 75.42 72.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 1.305 ' O ' ' N ' ' I' ' 38' ' ' GLY . . . -143.13 136.58 7.12 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . 0.985 ' O ' ' O ' ' J' ' 39' ' ' VAL . . . 149.04 -148.58 20.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 1.027 HG11 ' H ' ' J' ' 40' ' ' VAL . 0.8 OUTLIER -2.64 -134.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.15 0.475 . . . . 0.0 110.76 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 1.027 ' H ' HG11 ' J' ' 39' ' ' VAL . 89.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.546 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.788 ' O ' ' O ' ' B' ' 9' ' ' GLY . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.878 0.37 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -65.91 2.75 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.77 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 3.4 p90 -153.24 149.63 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.817 ' H ' ' H ' ' B' ' 11' ' ' GLU . 69.3 mm-40 -155.46 156.6 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.927 ' O ' ' HB ' ' B' ' 12' ' ' VAL . 6.5 t 95.99 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 13.1 p80 -129.44 163.67 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 33.9 m80 -164.2 -118.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.643 ' O ' ' CE1' ' B' ' 14' ' ' HIS . 7.7 pt20 -179.8 161.78 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' B' ' 14' ' ' HIS . 79.0 mttt 58.86 -105.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.541 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.786 ' CA ' ' HE2' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -148.44 144.3 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.674 ' CG2' ' H ' ' A' ' 19' ' ' PHE . 5.4 p 176.08 -174.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -159.33 158.12 31.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -157.52 156.36 31.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.94 107.74 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' B' ' 22' ' ' GLU . 1.4 pt-20 176.57 158.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 1.6 t70 -81.6 139.66 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 3.2 p -76.77 155.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -57.43 4.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -147.68 164.9 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -131.1 104.52 7.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' B' ' 27' ' ' ASN . 8.3 ptpt -142.71 96.31 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.79 -178.25 19.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' B' ' 30' ' ' ALA . . . -69.29 -78.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.2 mt -147.68 146.83 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.29 146.85 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 149.05 20.84 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.84 150.06 29.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.71 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 tpt -149.23 146.59 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.312 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 15.7 m -150.84 150.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.1 149.05 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 150.64 22.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -123.77 135.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.618 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.415 ' O ' ' OXT' ' B' ' 40' ' ' VAL . 8.8 p . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.86 -76.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -112.17 158.18 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' B' ' 4' ' ' PHE . 6.6 p90 -136.63 -167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 59.48 154.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -73.43 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.57 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.66 135.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.788 ' O ' ' O ' ' A' ' 8' ' ' SER . . . -149.27 148.61 20.14 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.77 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 40.6 m-85 -145.41 143.09 29.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.392 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.817 ' H ' ' H ' ' A' ' 11' ' ' GLU . 40.5 tt0 -146.62 147.04 30.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.927 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.0 m -109.2 160.05 8.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 13' ' ' HIS . 2.0 t60 -165.83 147.23 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.786 ' HE2' ' CA ' ' A' ' 17' ' ' LEU . 5.6 t60 -168.99 -165.54 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.624 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 30.4 tt0 -131.26 -119.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.433 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' B' ' 15' ' ' GLN . 6.0 mptp? -20.92 -83.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.88 145.91 27.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.208 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.449 ' CG2' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -151.58 150.99 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -147.19 146.07 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.264 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.922 ' O ' ' HB2' ' C' ' 20' ' ' PHE . 51.1 m-85 -150.21 148.07 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.656 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' B' ' 22' ' ' GLU . . . -149.57 122.83 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER 171.55 172.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.742 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' C' ' 27' ' ' ASN . 2.2 p30 -110.8 148.39 32.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.482 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' C' ' 25' ' ' GLY . 1.4 m -81.05 166.27 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.18 -88.98 1.37 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' C' ' 26' ' ' SER . 6.3 p -149.71 175.95 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' B' ' 28' ' ' LYS . 1.8 t30 -123.16 151.03 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.67 ' NZ ' ' HZ3' ' C' ' 28' ' ' LYS . 36.9 mttt -111.11 -169.98 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.654 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.08 91.63 0.16 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -148.42 -174.04 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.88 142.8 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.19 144.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.72 151.43 23.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' O ' ' C' ' 34' ' ' LEU . 0.4 OUTLIER -167.04 166.21 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.075 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptm -153.58 152.36 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.461 ' H ' HG12 ' A' ' 36' ' ' VAL . 33.6 m -151.53 150.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.33 151.46 23.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.15 147.39 17.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.42 145.92 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.415 ' OXT' ' O ' ' A' ' 40' ' ' VAL . 5.6 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' C' ' 2' ' ' ALA . 12.2 p-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' C' ' 1' ' ' ASP . . . 48.75 21.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' C' ' 20' ' ' PHE . 41.9 t -155.68 154.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.586 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -161.8 159.89 27.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.922 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER 163.47 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' C' ' 20' ' ' PHE . . . -137.06 121.55 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.415 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -120.76 136.9 54.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.09 142.28 26.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' C' ' 25' ' ' GLY . 3.8 p -75.55 166.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' C' ' 24' ' ' VAL . . . 73.28 -165.73 54.75 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 26' ' ' SER . 13.5 p -101.46 161.21 13.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.525 ' N ' ' OD2' ' B' ' 23' ' ' ASP . 22.7 t-20 -77.52 133.66 38.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.67 ' HZ3' ' NZ ' ' B' ' 28' ' ' LYS . 2.0 mmmt -87.94 177.06 7.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.33 92.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.448 ' HB1' ' H ' ' D' ' 30' ' ' ALA . . . -157.19 -162.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.67 144.69 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mt -148.43 146.98 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.605 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -148.72 146.11 15.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.3 OUTLIER -149.9 149.82 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.693 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -150.33 147.65 27.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.531 HG13 ' H ' ' D' ' 36' ' ' VAL . 31.0 m -151.29 150.86 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.74 149.63 21.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.36 148.35 19.47 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 40' ' ' VAL . 11.0 m -116.44 149.57 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 39' ' ' VAL . 21.9 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.802 0.334 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.17 149.76 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.873 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 54.8 t80 -152.74 149.82 28.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' E' ' 20' ' ' PHE . 6.1 p90 174.35 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.474 . . . . 0.0 111.249 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.21 124.51 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -113.61 116.25 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.793 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -141.89 129.76 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.149 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -94.67 -169.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.539 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.499 ' N ' ' CG1' ' C' ' 24' ' ' VAL . . . 64.81 -169.7 25.59 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -92.51 132.59 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.42 -179.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.431 ' H ' ' HD3' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -125.67 162.55 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.38 92.59 0.5 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.448 ' H ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.34 -148.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.546 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.404 ' H ' ' HB1' ' D' ' 30' ' ' ALA . 19.2 mt -145.6 145.11 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -148.57 147.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.04 147.07 17.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mp -149.56 147.91 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.1 ptm -149.51 147.42 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.4 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.531 ' H ' HG13 ' C' ' 36' ' ' VAL . 32.4 m -153.76 152.93 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.38 153.1 24.58 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.3 147.43 17.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.71 135.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 110.555 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.537 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.834 0.349 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.873 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 18.9 m-85 -159.33 157.76 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.61 -170.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.54 100.6 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.529 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CE2' ' E' ' 20' ' ' PHE . 13.7 mt-10 -101.58 90.92 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -134.22 151.67 51.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.87 172.25 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.05 20.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' E' ' 27' ' ' ASN . 8.0 t -127.63 171.67 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.551 ' H ' ' HG ' ' E' ' 26' ' ' SER . 1.8 m-20 -77.0 170.1 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.493 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -124.02 72.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.22 160.97 23.39 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . -84.33 -17.92 37.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 pt -149.93 146.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mm -148.38 146.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.325 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.23 148.61 20.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -151.53 149.29 29.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -151.95 149.96 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.483 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 m -156.1 155.36 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.44 153.84 25.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.95 151.6 23.37 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.35 160.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.603 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 60.9 m-85 -63.45 -70.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.415 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.719 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 5.5 pt-20 -150.35 147.43 27.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.119 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' GLU . 7.4 p -101.44 129.43 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.711 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 20.7 p80 -168.26 -173.53 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 3.9 m80 -177.05 -6.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.498 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.5 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 20.4 mt-30 63.02 167.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 59.91 -117.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.763 ' O ' ' CG1' ' F' ' 18' ' ' VAL . 2.2 pp -148.81 145.21 27.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.014 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.763 ' CG1' ' O ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER 164.83 -162.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.059 0.456 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.725 ' HD2' ' H ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -153.7 152.84 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.46 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.839 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 20.6 m-85 -155.46 154.38 31.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 120.08 36.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' G' ' 23' ' ' ASP . 12.0 mp0 -86.34 122.86 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.66 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 25.3 t0 -149.66 102.83 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.481 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 4.6 p -50.39 143.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.09 -164.04 40.74 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 p -96.51 167.03 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -74.89 132.14 41.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' F' ' 30' ' ' ALA . 43.8 mmtt -84.49 -161.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.473 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.19 77.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' F' ' 28' ' ' LYS . . . -151.42 -168.72 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 mt -146.06 144.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -149.58 148.16 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.633 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.69 20.15 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.28 148.95 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.578 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -149.61 147.93 28.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -147.89 147.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.567 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.21 149.18 20.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.03 157.05 27.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -128.65 140.59 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.635 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.76 -54.73 11.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -103.11 22.11 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 43.21 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -79.68 107.25 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -78.13 -100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.8 32.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -75.89 172.74 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.79 148.75 20.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.576 ' HA ' ' O ' ' F' ' 10' ' ' TYR . 4.3 p90 -151.28 148.45 28.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.528 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 0.719 ' H ' ' HA ' ' F' ' 11' ' ' GLU . 9.3 mt-10 -148.34 148.54 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.258 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.21 146.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -164.67 87.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -108.73 -152.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -135.23 -78.95 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 20.1 mtpp -74.54 -82.0 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -146.63 145.07 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.444 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.64 146.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.73 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -156.48 155.09 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.839 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 20.9 p90 168.23 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.96 152.91 37.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.581 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.611 ' HB3' ' H ' ' H' ' 23' ' ' ASP . 26.4 tt0 -118.05 100.58 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.66 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 32.5 t0 -126.42 100.1 6.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.264 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.414 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.6 m -123.76 -169.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.481 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 84.95 -82.94 1.65 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.8 m -154.82 107.46 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -83.54 119.47 24.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -92.11 -174.67 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.41 100.81 0.56 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.37 -164.98 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.579 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 mt -145.69 144.88 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.197 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.33 145.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.77 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 1.1 pt? -155.08 153.26 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.758 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mtm -148.79 148.25 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.316 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.469 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.02 147.07 17.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.21 148.21 19.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.25 142.21 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 110.529 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.512 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 -48.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.52 140.55 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -156.15 -27.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -85.3 95.84 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 0.0 OUTLIER -61.68 -9.04 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.625 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -50.31 -32.67 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -52.9 149.2 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' H' ' 10' ' ' TYR . . . -153.55 151.87 23.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 0.1 OUTLIER -151.96 152.07 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.759 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 0.551 ' OE1' ' ND1' ' H' ' 13' ' ' HIS . 4.8 tm-20 -156.46 153.68 29.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.639 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.36 119.72 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.551 ' ND1' ' OE1' ' H' ' 11' ' ' GLU . 1.0 OUTLIER -68.31 -140.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.446 ' HA ' ' CD2' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -134.73 151.89 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.619 ' H ' ' CE1' ' I' ' 14' ' ' HIS . 0.2 OUTLIER 176.12 105.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' I' ' 16' ' ' LYS . 8.7 tttt 31.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.2 pp -145.39 143.24 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.545 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 0.2 OUTLIER -148.22 146.58 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.484 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.9 OUTLIER -156.11 152.87 28.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.741 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.557 ' HB3' ' H ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 168.29 -166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.77 108.89 12.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.272 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -86.55 101.3 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.64 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.611 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 37.7 t0 -124.97 117.04 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.511 ' H ' HG11 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -121.02 -176.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -92.31 1.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -153.79 132.26 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -81.32 178.07 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.4 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -132.02 165.78 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 97.08 1.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' H ' ' H' ' 31' ' ' ILE . . . -157.72 -144.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.545 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.468 ' H ' ' HB3' ' H' ' 30' ' ' ALA . 20.0 mt -145.86 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.271 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.04 145.51 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.483 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.455 ' C ' ' CD1' ' H' ' 34' ' ' LEU . . . -150.27 147.48 17.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' H' ' 33' ' ' GLY . 6.0 mp -149.2 148.41 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 21.1 ttt -149.03 145.98 27.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.187 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.49 157.8 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.15 156.63 27.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.79 148.82 20.38 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.61 145.64 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.553 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -80.89 148.03 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' I' ' 2' ' ' ALA . 23.8 mt-10 58.72 152.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.593 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.49 -120.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -138.59 -10.7 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 1.5 m80 -98.98 -167.56 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' CE1' ' J' ' 10' ' ' TYR . 4.6 m-20 -74.6 138.44 42.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.449 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.693 ' H ' ' N ' ' J' ' 9' ' ' GLY . 4.1 t -89.28 25.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.12 70.06 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' J' ' 10' ' ' TYR . 77.0 t80 -142.55 141.8 32.09 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.619 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 5.9 pt-20 -152.35 149.05 28.21 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.495 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.7 ' H ' ' H ' ' J' ' 12' ' ' VAL . 5.9 m -129.34 120.55 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -141.73 97.57 3.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' I' ' 15' ' ' GLN . 60.1 t-80 -108.2 170.41 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.806 ' N ' ' ND1' ' I' ' 14' ' ' HIS . 7.6 tt0 -90.58 -105.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 6.8 mmtt -34.45 -90.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' I' ' 17' ' ' LEU . 0.7 OUTLIER -147.66 145.68 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.538 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.402 HG22 ' CE2' ' I' ' 20' ' ' PHE . 14.7 p -147.33 145.83 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.549 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.554 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 3.0 t80 -153.87 150.5 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.334 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.584 ' CD1' ' OE2' ' I' ' 22' ' ' GLU . 0.3 OUTLIER 175.15 -173.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.054 0.454 . . . . 0.0 111.305 179.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.28 124.41 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.584 ' OE2' ' CD1' ' I' ' 20' ' ' PHE . 9.3 mp0 -99.45 103.82 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.428 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 56.5 t0 -122.52 115.45 22.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.469 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.572 HG12 ' H ' ' I' ' 25' ' ' GLY . 0.3 OUTLIER -140.8 -163.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.572 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 77.73 -80.9 1.29 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -149.01 109.43 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . 0.428 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -84.54 173.04 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 156.7 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.63 87.73 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' J' ' 30' ' ' ALA . . . -146.94 -123.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.591 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 mt -145.26 144.03 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.244 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.04 145.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' I' ' 34' ' ' LEU . . . -151.7 148.86 20.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.437 ' CD1' ' C ' ' I' ' 33' ' ' GLY . 5.7 mp -150.32 149.89 30.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.438 ' O ' ' HA ' ' J' ' 35' ' ' MET . 50.5 mtt -150.94 147.71 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.428 HG11 ' O ' ' I' ' 35' ' ' MET . 18.3 m -154.35 154.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.65 152.07 23.73 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.12 149.19 20.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.43 134.41 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.515 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' J' ' 2' ' ' ALA . 20.2 t0 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . 0.453 ' H ' ' CG ' ' J' ' 1' ' ' ASP . . . -73.39 -4.67 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.49 78.51 6.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.0 107.87 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 46.59 -102.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . 0.484 ' ND1' ' O ' ' J' ' 6' ' ' HIS . 17.1 p80 -175.25 107.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -159.85 -114.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.525 ' C ' ' H ' ' I' ' 8' ' ' SER . 0.7 OUTLIER 72.48 32.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . 0.693 ' N ' ' H ' ' I' ' 8' ' ' SER . . . 159.28 -157.54 28.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' I' ' 10' ' ' TYR . 0.2 OUTLIER -157.11 156.25 32.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.555 ' HA ' ' H ' ' I' ' 12' ' ' VAL . 0.0 OUTLIER -146.55 143.11 28.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.7 ' H ' ' H ' ' I' ' 12' ' ' VAL . 0.9 OUTLIER -97.97 -141.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.628 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 0.1 OUTLIER 153.43 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.506 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 1.3 m170 163.03 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.565 ' O ' ' C ' ' J' ' 16' ' ' LYS . 10.2 mp0 60.45 -165.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' J' ' 15' ' ' GLN . 3.5 tmtt? -23.23 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.439 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 4.6 tp -152.53 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.47 148.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.511 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 36.2 t80 -151.77 149.11 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.11 160.51 30.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.41 113.85 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.424 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -91.61 103.79 16.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.22 114.77 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.4 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.551 HG12 ' H ' ' J' ' 25' ' ' GLY . 0.5 OUTLIER -148.89 176.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.543 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.551 ' H ' HG12 ' J' ' 24' ' ' VAL . . . 95.85 -93.53 1.57 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -138.57 105.62 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 110.515 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.613 HD21 ' N ' ' J' ' 27' ' ' ASN . 0.9 OUTLIER -92.99 175.94 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.466 ' HD2' ' H ' ' J' ' 28' ' ' LYS . 0.1 OUTLIER -99.92 151.31 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.92 104.17 3.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -165.49 -111.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.44 146.15 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.41 HG23 HD12 ' J' ' 32' ' ' ILE . 18.5 mm -147.03 145.39 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.222 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 149.31 21.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -149.61 148.06 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.445 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.438 ' HA ' ' O ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -151.47 148.52 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -155.84 155.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.653 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 153.89 25.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.47 149.62 21.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.0 153.54 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.598 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.46 68.61 1.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -157.39 156.55 32.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.32 152.91 30.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.28 133.16 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -158.68 139.95 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.622 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 1.3 t60 -170.53 -154.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -130.45 -167.63 1.85 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 43.8 mttm 42.62 -105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.62 144.01 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.12 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -148.29 146.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.432 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -151.7 150.54 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.616 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.811 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 41.8 m-85 -155.03 153.74 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.29 114.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.62 173.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.784 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 26' ' ' SER . 2.9 t70 -90.8 125.24 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.454 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.82 119.84 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.31 -80.41 0.36 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 94.8 p -139.14 115.7 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.607 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -95.47 124.88 39.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -96.87 -165.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.468 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.69 87.4 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.67 -175.59 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.2 mt -145.81 144.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.188 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -148.97 146.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.17 148.96 20.75 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 1.6 pt? -149.88 147.87 28.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -148.01 145.59 28.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.585 ' N ' ' SD ' ' A' ' 35' ' ' MET . 16.0 m -149.76 149.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.95 148.27 19.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.68 149.49 21.34 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -115.88 136.15 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.613 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.44 -73.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -104.15 -178.62 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -52.45 154.81 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -71.52 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -69.9 -170.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.85 159.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t -62.61 -25.38 68.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.94 68.98 1.45 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -144.71 142.85 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -149.44 148.23 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.784 0.326 . . . . 0.0 110.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.39 137.94 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 176.92 144.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.622 ' ND1' ' N ' ' A' ' 14' ' ' HIS . 36.6 m-70 -139.28 -120.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -146.68 -50.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 19.3 mmtm -87.57 -91.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -145.8 144.09 30.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.288 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.451 ' CG1' ' CE2' ' B' ' 20' ' ' PHE . 42.8 t -153.06 150.37 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.517 ' C ' ' CG ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.89 158.82 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.811 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 171.6 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.171 0.51 . . . . 0.0 111.619 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 117.8 14.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' C' ' 23' ' ' ASP . 37.0 mm-40 -86.47 138.98 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 111.126 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.44 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 12.3 t70 -149.28 104.97 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.12 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.738 ' CG1' ' H ' ' B' ' 25' ' ' GLY . 3.5 t -136.39 -154.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.738 ' H ' ' CG1' ' B' ' 24' ' ' VAL . . . 76.09 -71.73 1.94 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -167.63 98.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.72 144.31 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -170.4 2.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 95.73 0.38 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 -168.1 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mt -144.41 143.39 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.305 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -145.53 142.88 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.4 152.62 24.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 1.5 pt? -160.01 157.93 29.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.5 mtt -150.38 149.36 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.518 HG11 ' H ' ' C' ' 36' ' ' VAL . 24.6 m -151.91 151.12 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.717 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.16 152.51 24.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.11 150.69 22.59 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.81 142.7 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.616 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . 0.436 ' H3 ' ' H ' ' C' ' 2' ' ' ALA . 2.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . 0.436 ' H ' ' H3 ' ' C' ' 1' ' ' ASP . . . -152.33 166.8 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 146.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' D' ' 19' ' ' PHE . 3.6 t80 -153.35 150.6 29.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 18.5 p90 176.15 -175.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.462 . . . . 0.0 111.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.87 126.76 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.329 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.1 102.08 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.588 ' OD1' ' OG ' ' D' ' 26' ' ' SER . 2.2 t70 -121.82 95.67 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.325 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.57 ' CG2' ' N ' ' C' ' 25' ' ' GLY . 2.6 p -141.29 166.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.62 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.57 ' N ' ' CG2' ' C' ' 24' ' ' VAL . . . 113.07 -79.95 0.27 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 38.8 p -156.23 105.97 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.596 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 8.5 t-20 -72.46 167.29 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.596 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -138.61 162.15 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.72 76.11 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -134.63 -159.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 110.69 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' D' ' 31' ' ' ILE . 12.6 mt -145.44 146.7 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.39 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -146.0 141.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.485 ' HA3' HG13 ' D' ' 32' ' ' ILE . . . -144.68 144.76 13.68 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -150.62 148.21 28.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.467 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.465 ' SD ' ' C ' ' C' ' 34' ' ' LEU . 3.7 mpp? -146.44 146.76 30.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.977 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.893 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.7 OUTLIER -151.35 148.43 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.41 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -153.76 152.84 24.39 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . 0.621 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -149.24 147.81 18.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' C' ' 40' ' ' VAL . 2.8 m -125.52 140.89 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.581 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' D' ' 40' ' ' VAL . 15.8 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.76 0.314 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.12 147.66 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 0.0 110.633 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 1.6 t80 -152.82 149.76 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.509 ' H ' ' HB3' ' E' ' 20' ' ' PHE . 0.5 OUTLIER 171.56 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.83 116.98 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -109.11 118.25 36.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' E' ' 23' ' ' ASP . 6.3 t70 -147.06 138.58 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' D' ' 24' ' ' VAL . 7.4 p -71.75 111.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' C' ' 24' ' ' VAL . . . 125.96 -146.94 16.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.588 ' OG ' ' OD1' ' C' ' 23' ' ' ASP . 3.7 m -139.63 173.56 11.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.593 ' O ' ' O ' ' D' ' 28' ' ' LYS . 24.9 m120 -57.53 107.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.291 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.637 ' O ' ' O ' ' D' ' 29' ' ' GLY . 59.4 mmtt -51.79 -156.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.456 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.637 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -37.38 170.56 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -22.8 139.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.532 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' C' ' 31' ' ' ILE . 3.8 mt -163.82 161.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.553 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' E' ' 32' ' ' ILE . 3.6 tt 156.4 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 1.055 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 66.23 70.31 1.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.594 -0.603 . . . . 0.0 111.594 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -144.83 141.06 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.912 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.1 tmt? -157.51 156.91 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.893 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 11.6 m -158.42 158.88 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.676 ' O ' ' HA3' ' E' ' 37' ' ' GLY . . . -154.87 152.3 23.86 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.621 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -154.08 152.76 24.31 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.01 164.66 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' C' ' 40' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.57 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.555 ' CG2' ' CE2' ' E' ' 20' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.703 0.287 . . . . 0.0 110.433 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 57.1 t80 -155.68 153.19 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.555 ' CE2' ' CG2' ' E' ' 18' ' ' VAL . 0.1 OUTLIER 175.98 -175.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.135 0.493 . . . . 0.0 111.244 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 107.38 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.53 73.22 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 5.5 t70 -106.14 118.75 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.076 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.441 HG23 ' N ' ' E' ' 25' ' ' GLY . 0.9 OUTLIER -112.6 -172.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.479 ' O ' ' CG1' ' D' ' 24' ' ' VAL . . . 79.31 -101.51 1.87 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.594 ' HG ' ' N ' ' E' ' 27' ' ' ASN . 5.8 t -136.26 175.39 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.594 ' N ' ' HG ' ' E' ' 26' ' ' SER . 0.6 OUTLIER -126.8 -173.81 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.644 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -97.3 136.94 37.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 113.76 4.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 170.16 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.539 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.486 ' HA ' ' HA ' ' D' ' 31' ' ' ILE . 59.6 mt -147.96 145.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.895 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' D' ' 32' ' ' ILE . 47.6 mt -145.49 147.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.537 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.713 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -156.19 152.35 23.77 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' D' ' 34' ' ' LEU . 1.6 mt -153.88 154.47 33.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.682 0.277 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.912 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -150.07 144.85 26.02 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' D' ' 36' ' ' VAL . 0.0 OUTLIER 168.08 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.018 0.437 . . . . 0.0 110.754 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.676 ' HA3' ' O ' ' D' ' 37' ' ' GLY . . . 168.26 -166.99 39.91 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.99 155.43 26.29 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.91 141.19 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.547 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.43 150.06 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -150.89 149.32 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -121.59 158.04 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -174.69 142.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.456 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 3.3 t-80 -170.28 -161.15 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' F' ' 17' ' ' LEU . 12.1 pt20 -125.36 -167.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 59.5 mttm 39.27 -93.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -146.53 144.63 29.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.093 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.17 148.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -154.49 153.5 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.526 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.716 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 32.5 m-85 -157.96 157.67 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.84 114.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -178.1 172.62 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 17.5 t70 -98.79 134.18 42.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 t -97.27 132.55 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.9 -85.63 0.4 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.438 ' HG ' ' HZ3' ' F' ' 28' ' ' LYS . 30.4 t -143.73 117.41 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -84.07 133.93 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' F' ' 28' ' ' LYS . 10.3 mptt -93.01 -173.0 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.79 87.61 0.21 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.97 -171.05 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.416 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.4 HD11 HG23 ' F' ' 31' ' ' ILE . 64.2 mt -145.32 144.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.253 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.464 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.42 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -152.47 150.55 22.38 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' F' ' 34' ' ' LEU . 1.1 pt? -158.53 156.95 31.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttt -150.92 148.97 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.473 HG11 ' CE1' ' F' ' 19' ' ' PHE . 15.7 m -150.05 149.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.696 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.68 149.76 21.45 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.37 151.86 23.65 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.12 123.09 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.626 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.1 -144.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 54.58 80.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -63.93 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' G' ' 6' ' ' HIS . 15.4 mmm180 56.53 -177.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.3 OUTLIER -60.8 -132.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . 0.585 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 23.5 t0 -160.12 166.37 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.41 ' HB2' ' H ' ' H' ' 9' ' ' GLY . 0.7 OUTLIER 56.61 -127.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' F' ' 9' ' ' GLY . . . 62.69 68.41 1.68 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' G' ' 10' ' ' TYR . 15.6 p90 -152.82 151.16 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -151.56 151.15 31.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.546 ' O ' ' ND1' ' H' ' 13' ' ' HIS . 5.5 m -125.17 119.31 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.483 ' C ' ' CG ' ' G' ' 14' ' ' HIS . 1.1 p80 -131.61 150.34 52.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.483 ' CG ' ' C ' ' G' ' 13' ' ' HIS . 0.5 OUTLIER 168.91 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -130.84 -166.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.591 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 32.3 mmtm 57.2 -109.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.651 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.6 143.06 30.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.507 ' H ' HG21 ' H' ' 18' ' ' VAL . 90.4 t -150.63 149.19 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.793 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -157.95 155.21 29.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.716 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 174.24 -173.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.18 0.514 . . . . 0.0 111.408 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.85 113.55 13.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.036 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -86.56 123.8 32.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 47.4 t0 -138.55 110.49 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.275 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.582 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 5.8 t -134.77 -178.66 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.552 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.582 ' H ' ' CG1' ' G' ' 24' ' ' VAL . . . 95.33 -71.66 0.99 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -171.03 110.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.613 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.53 148.23 31.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.49 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 178.82 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.43 92.59 0.42 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' H ' ' H' ' 30' ' ' ALA . . . -147.65 -165.56 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.47 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -145.3 144.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.4 144.62 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.315 . . . . 0.0 110.345 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' F' ' 33' ' ' GLY . . . -149.23 147.31 17.59 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.02 150.98 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -148.88 146.09 27.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.196 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.4 HG11 ' H ' ' H' ' 36' ' ' VAL . 35.0 m -150.5 150.19 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.23 150.09 21.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.95 148.13 19.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' G' ' 40' ' ' VAL . 76.7 t -115.14 160.77 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.331 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.456 ' N ' ' CG1' ' G' ' 39' ' ' VAL . 11.0 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' H' ' 4' ' ' PHE . . . -79.34 -168.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' G' ' 25' ' ' GLY . 4.5 mm-40 56.28 5.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' H' ' 2' ' ' ALA . 35.4 t80 49.41 -119.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 32.2 ptt85 -177.45 73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.592 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 6.9 t-160 -156.04 -138.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . 0.592 ' H ' ' CG ' ' H' ' 6' ' ' HIS . 37.4 t0 -62.96 150.71 41.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' H' ' 7' ' ' ASP . 15.9 m -167.18 104.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 0.41 ' H ' ' HB2' ' G' ' 8' ' ' SER . . . -160.9 159.7 31.28 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' CD2' ' I' ' 10' ' ' TYR . 14.3 p90 -157.97 156.24 30.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.803 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.08 149.14 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 m -125.12 155.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.731 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -162.75 143.79 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -154.95 -153.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' H' ' 16' ' ' LYS . 65.4 mt-30 -140.29 -113.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' H' ' 15' ' ' GLN . 0.2 OUTLIER -22.89 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.47 HD21 ' H ' ' H' ' 18' ' ' VAL . 0.4 OUTLIER -148.78 145.79 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.418 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.507 HG21 ' H ' ' G' ' 18' ' ' VAL . 17.5 t -152.87 151.17 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.782 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.495 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.8 OUTLIER -156.91 155.51 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.518 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.496 ' CD2' ' CE2' ' G' ' 20' ' ' PHE . 0.2 OUTLIER 174.74 -173.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 111.297 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 120.92 21.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.208 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -94.49 102.47 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.404 ' CG ' HD22 ' H' ' 27' ' ' ASN . 55.2 t0 -119.3 113.76 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.315 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.592 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 8.5 p -145.7 -179.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.597 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.592 ' H ' ' CG2' ' H' ' 24' ' ' VAL . . . 97.18 -74.76 0.68 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -161.86 104.82 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.404 HD22 ' CG ' ' H' ' 23' ' ' ASP . 0.8 OUTLIER -77.25 178.97 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 171.32 14.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.58 91.35 0.86 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' I' ' 30' ' ' ALA . . . -148.53 -153.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.411 ' H ' ' HB1' ' H' ' 30' ' ' ALA . 16.8 mt -144.74 144.45 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.148 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.49 144.57 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HG ' ' H' ' 34' ' ' LEU . . . -149.45 147.25 17.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -147.38 146.26 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.391 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.5 ttt -147.88 145.55 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.447 HG12 ' H ' ' I' ' 36' ' ' VAL . 35.2 m -153.06 152.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.51 149.53 21.3 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 150.4 22.29 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 94.4 t -119.97 136.77 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.528 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' I' ' 2' ' ' ALA . 17.2 t0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . 0.516 ' H ' ' CG ' ' I' ' 1' ' ' ASP . . . -147.12 148.39 31.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' I' ' 4' ' ' PHE . 38.1 mt-10 48.73 80.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' I' ' 3' ' ' GLU . 50.2 m-85 -42.76 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' I' ' 6' ' ' HIS . 5.2 ptm180 -178.41 65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' I' ' 5' ' ' ARG . 73.4 m-70 -152.86 122.64 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' I' ' 6' ' ' HIS . 4.8 m-20 58.79 121.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -179.84 99.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . 0.561 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -153.07 150.61 22.39 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.561 ' CD2' ' O ' ' I' ' 9' ' ' GLY . 0.2 OUTLIER -148.81 148.29 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -148.81 147.32 28.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -127.36 122.87 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' J' ' 13' ' ' HIS . 6.8 t-80 -131.66 138.25 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.542 ' HB3' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -176.34 -168.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -132.34 -157.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 17.3 mmtp 49.39 -108.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.75 143.38 28.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.409 HG23 ' CG ' ' I' ' 14' ' ' HIS . 0.7 OUTLIER -149.71 149.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.811 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.517 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 32.3 t80 -152.77 149.71 28.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.153 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.8 p90 177.0 -176.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.121 0.486 . . . . 0.0 111.413 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.13 19.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.377 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -100.09 122.03 42.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.709 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -135.22 119.46 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' H ' ' I' ' 25' ' ' GLY . 3.5 t -143.71 178.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.5 ' H ' ' CG1' ' I' ' 24' ' ' VAL . . . 94.52 -90.36 1.31 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -148.59 109.65 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.729 0.299 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -82.19 -172.5 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.432 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -136.12 157.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 101.04 1.28 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' J' ' 30' ' ' ALA . . . -159.6 -140.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.627 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.454 ' H ' ' HB2' ' I' ' 30' ' ' ALA . 14.1 mt -145.58 145.37 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.222 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.42 145.24 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.236 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 149.4 21.23 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -149.16 147.73 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.518 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' J' ' 35' ' ' MET . 15.7 ptt? -149.6 146.9 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.447 ' H ' HG12 ' H' ' 36' ' ' VAL . 33.5 m -153.07 152.8 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.95 153.24 24.65 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.82 18.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.442 ' O ' ' OXT' ' I' ' 40' ' ' VAL . 0.3 OUTLIER -95.54 154.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.294 . . . . 0.0 110.599 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.442 ' OXT' ' O ' ' I' ' 39' ' ' VAL . 74.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.13 13.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' J' ' 4' ' ' PHE . 4.7 tp10 -64.72 -61.74 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' J' ' 3' ' ' GLU . 60.2 m-85 54.25 166.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -91.88 174.47 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' J' ' 7' ' ' ASP . 2.4 t-80 65.42 151.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . 0.613 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.8 m-20 64.44 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' J' ' 8' ' ' SER . 14.2 p 60.22 91.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.5 148.71 20.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -149.04 148.22 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -150.62 149.15 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' J' ' 13' ' ' HIS . 3.0 p -120.71 160.1 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' I' ' 13' ' ' HIS . 25.6 m80 -161.4 89.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -106.36 -158.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -143.06 -33.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 11.4 mptt -98.61 -87.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.407 ' CD1' ' H ' ' J' ' 18' ' ' VAL . 0.1 OUTLIER -148.69 145.83 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.407 ' H ' ' CD1' ' J' ' 17' ' ' LEU . 16.2 m -151.65 150.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 2.9 m-85 -156.04 154.04 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.352 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.6 OUTLIER 174.48 -173.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 111.214 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 113.82 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.316 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -99.12 109.78 22.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -125.31 127.52 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.37 176.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.05 -100.51 2.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -139.72 118.36 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -94.51 174.39 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.616 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.527 ' H ' ' CD ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.73 145.4 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.62 105.91 2.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' I' ' 30' ' ' ALA . . . -167.48 -121.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 tt -145.73 144.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -148.43 146.87 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.4 148.84 20.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mt -150.4 148.09 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.19 149.97 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' J' ' 35' ' ' MET . 23.1 m -156.41 155.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.99 154.57 25.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.56 21.39 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.8 140.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.548 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.551 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.22 152.93 24.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -149.61 148.14 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.6 149.15 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.32 149.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.658 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -175.86 148.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.671 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 2.8 m80 -176.92 -172.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.588 ' NE2' ' NZ ' ' A' ' 16' ' ' LYS . 9.8 pt20 -114.45 -174.07 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' NZ ' ' NE2' ' A' ' 15' ' ' GLN . 56.5 mttp 43.28 -100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.46 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 2.3 pt? -147.47 146.11 29.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -148.91 147.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -148.42 146.96 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.639 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 39.5 m-85 -157.33 155.71 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.803 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.03 101.44 3.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.29 171.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 4.1 p30 -102.07 147.28 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.52 -93.02 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -135.17 156.75 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.652 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -111.84 124.21 51.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -94.05 -167.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 90.9 0.24 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.83 -168.45 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -146.07 144.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 pt -148.97 147.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.525 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.95 147.9 18.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.673 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.41 147.7 28.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.47 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttp -148.95 147.06 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.14 147.37 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.55 149.68 21.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.53 152.74 24.32 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.24 128.69 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.575 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.92 175.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 45.5 44.27 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -46.55 -40.56 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.588 ' HE ' ' H ' ' B' ' 6' ' ' HIS . 10.3 ptm180 -164.28 -118.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.588 ' H ' ' HE ' ' B' ' 5' ' ' ARG . 43.5 m-70 54.46 164.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' B' ' 8' ' ' SER . 3.7 m-20 -88.25 159.3 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 7' ' ' ASP . 1.2 m -167.66 140.96 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.519 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -158.17 156.59 27.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.519 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -154.33 154.45 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -152.72 150.31 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.76 137.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -150.18 107.8 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.745 ' CD2' ' H ' ' B' ' 15' ' ' GLN . 61.9 t60 -120.08 -173.8 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.745 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 28.3 mt-30 -116.41 -92.81 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.3 mptm? -51.95 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 143.61 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.428 ' HB ' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -147.39 145.67 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.583 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -155.32 152.45 29.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.408 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.656 ' H ' ' HB3' ' C' ' 20' ' ' PHE . 0.8 OUTLIER 171.95 -171.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.166 0.508 . . . . 0.0 111.306 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 115.52 18.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -91.62 134.01 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.4 t70 -151.87 113.46 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.29 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -178.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.628 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.93 -95.71 2.11 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -158.09 120.24 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.11 151.09 35.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.58 175.69 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.91 98.84 0.65 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.96 -158.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.643 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -145.46 144.94 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.172 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -147.35 145.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.39 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.61 152.7 24.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 1.8 pt? -161.5 160.56 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.25 149.0 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' C' ' 36' ' ' VAL . 0.1 OUTLIER -147.49 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.49 150.18 22.06 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.79 150.02 21.85 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.82 145.88 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.508 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . 0.405 ' H2 ' ' H ' ' C' ' 2' ' ' ALA . 2.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . 0.405 ' H ' ' H2 ' ' C' ' 1' ' ' ASP . . . -170.94 -64.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.76 0.314 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' C' ' 20' ' ' PHE . 23.7 t -148.5 147.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -155.73 152.71 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.735 ' O ' ' HB2' ' D' ' 20' ' ' PHE . 0.0 OUTLIER 172.12 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 111.227 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.55 121.97 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -95.19 112.95 24.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' D' ' 27' ' ' ASN . 13.1 t70 -139.88 109.71 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.66 178.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.01 -96.63 2.18 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -147.53 141.54 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.621 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 6.0 t-20 -94.54 172.7 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.537 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -118.15 168.86 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.63 100.82 2.5 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.53 -140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.597 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mt -145.18 144.66 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.47 ' C ' ' CD1' ' C' ' 34' ' ' LEU . . . -148.65 146.58 16.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' C' ' 33' ' ' GLY . 6.0 mp -149.08 147.45 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt -147.9 146.11 28.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' B' ' 36' ' ' VAL . 0.0 OUTLIER -150.17 149.61 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.89 149.44 21.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.06 18.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.83 159.68 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.639 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.595 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.231 0.087 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.46 147.45 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 10.5 t80 -152.73 149.36 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.201 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.735 ' HB2' ' O ' ' C' ' 20' ' ' PHE . 7.7 p90 175.07 -173.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.184 0.516 . . . . 0.0 111.333 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.46 121.69 36.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.308 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.24 111.87 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -135.99 110.75 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.494 ' CG1' ' H ' ' D' ' 25' ' ' GLY . 12.1 t -136.28 174.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.494 ' H ' ' CG1' ' D' ' 24' ' ' VAL . . . 96.53 -85.76 0.87 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -148.82 112.4 5.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' C' ' 23' ' ' ASP . 3.1 m-80 -89.48 168.34 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.523 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' D' ' 28' ' ' LYS . 0.1 OUTLIER -103.26 164.32 11.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.48 99.65 2.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -156.57 -123.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.614 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -144.93 144.58 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.214 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -147.44 145.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.357 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.24 149.55 21.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mp -149.91 149.2 30.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.535 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.39 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -149.06 148.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.5 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.22 148.83 20.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.82 148.68 20.22 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.445 ' O ' ' OXT' ' D' ' 40' ' ' VAL . 90.5 t -111.79 133.27 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.445 ' OXT' ' O ' ' D' ' 39' ' ' VAL . 84.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.815 0.341 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.631 ' C ' ' CG ' ' E' ' 20' ' ' PHE . 24.9 m-85 -151.34 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.093 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.631 ' CG ' ' C ' ' E' ' 19' ' ' PHE . 0.1 OUTLIER 171.91 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.181 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.99 104.58 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.323 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.4 mp0 -111.8 110.38 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -139.31 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' E' ' 26' ' ' SER . 3.7 p -63.08 162.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . -43.07 76.41 0.0 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.765 ' N ' ' O ' ' E' ' 24' ' ' VAL . 8.4 t -95.2 161.59 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -140.08 109.85 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -92.99 -152.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.336 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.586 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -47.05 163.49 0.17 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -60.98 4.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.586 ' H ' ' C ' ' E' ' 29' ' ' GLY . 20.2 tt -151.31 147.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.475 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -146.88 146.57 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.273 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.12 153.85 25.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.72 153.03 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.502 ' O ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -150.03 146.66 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.218 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -156.49 156.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.25 153.97 25.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.82 150.51 22.41 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -119.85 131.58 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.676 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.494 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -150.34 148.51 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' F' ' 11' ' ' GLU . 1.0 OUTLIER -150.39 148.33 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.301 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.435 ' HB ' ' HE2' ' G' ' 14' ' ' HIS . 30.4 m -128.37 144.63 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' G' ' 13' ' ' HIS . 55.9 p-80 -175.57 -170.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 1.9 t60 74.09 -177.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.537 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 5.0 mm100 64.04 146.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 42.2 mtmt -71.28 -48.79 48.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.667 ' O ' ' CG1' ' F' ' 18' ' ' VAL . 1.8 pt? -149.51 146.22 27.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.932 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.667 ' CG1' ' O ' ' F' ' 17' ' ' LEU . 0.0 OUTLIER 171.41 -169.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.221 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.693 ' H ' ' HD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -152.11 152.26 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.184 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.771 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 62.9 m-85 -151.21 148.88 28.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.38 128.44 54.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.348 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.628 ' O ' ' O ' ' G' ' 23' ' ' ASP . 41.9 mm-40 -80.8 134.31 35.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -159.78 83.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.655 ' CG2' ' H ' ' G' ' 25' ' ' GLY . 33.3 m -93.14 179.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 -105.08 2.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -147.74 154.78 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.678 0.275 . . . . 0.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.662 ' H ' HD21 ' F' ' 27' ' ' ASN . 0.1 OUTLIER -88.25 125.79 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.684 ' HZ3' ' HG ' ' G' ' 26' ' ' SER . 1.5 mmtp -94.94 -173.12 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.66 78.45 1.18 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 -166.02 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -146.2 143.77 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.167 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.09 145.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.516 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -151.7 148.78 20.2 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.64 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -153.35 152.76 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.022 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -152.46 149.51 28.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.178 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.627 ' N ' ' SD ' ' F' ' 35' ' ' MET . 1.3 m -151.91 152.41 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 71.96 0.81 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . 0.601 ' H ' ' HA2' ' G' ' 37' ' ' GLY . . . -62.17 -71.9 0.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' ' O ' ' G' ' 38' ' ' GLY . 7.7 p -112.55 128.91 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.547 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' G' ' 4' ' ' PHE . . . -157.53 164.54 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -73.57 136.98 44.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' G' ' 2' ' ' ALA . 84.0 m-85 -123.65 2.56 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' G' ' 5' ' ' ARG . 5.5 mpt_? -84.18 132.52 34.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -79.22 165.33 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 63.71 133.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -166.81 146.04 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.71 153.41 24.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.664 ' CD2' ' CD2' ' H' ' 10' ' ' TYR . 1.3 p90 -154.09 153.07 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.397 . . . . 0.0 110.622 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -150.21 149.84 30.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.38 142.52 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' G' ' 13' ' ' HIS . 42.8 p-80 -177.43 114.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.435 ' HE2' ' HB ' ' F' ' 12' ' ' VAL . 7.0 m80 -122.16 -139.96 0.32 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.637 ' O ' ' C ' ' G' ' 16' ' ' LYS . 60.1 mt-30 -134.13 -156.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' G' ' 15' ' ' GLN . 3.7 tptm 16.81 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.667 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' G' ' 15' ' ' GLN . 2.1 pp -146.32 144.05 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.232 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -148.67 147.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.622 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.548 ' O ' ' HB3' ' G' ' 20' ' ' PHE . 0.0 OUTLIER -156.95 154.68 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.503 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.798 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 27.8 p90 167.56 -165.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.48 . . . . 0.0 111.1 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.56 130.27 52.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 0.0 OUTLIER -96.16 110.23 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' F' ' 22' ' ' GLU . 42.3 t0 -135.28 103.27 5.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.94 177.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.655 ' H ' ' CG2' ' F' ' 24' ' ' VAL . . . 90.44 -100.97 2.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 26' ' ' SER . . . . . 0.684 ' HG ' ' HZ3' ' F' ' 28' ' ' LYS . 0.1 OUTLIER -150.24 135.66 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -74.07 -171.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 171.14 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 97.79 1.04 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.496 ' HB2' ' H ' ' G' ' 31' ' ' ILE . . . -157.46 -152.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.659 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.496 ' H ' ' HB2' ' G' ' 30' ' ' ALA . 57.0 mt -144.64 144.04 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.053 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -148.82 145.94 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.396 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.472 ' O ' ' HG ' ' G' ' 34' ' ' LEU . . . -148.16 147.28 17.76 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' G' ' 33' ' ' GLY . 4.2 mp -146.53 144.39 29.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.3 tmt? -142.33 141.87 32.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' F' ' 35' ' ' MET . 77.2 t -155.56 152.24 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.601 ' HA2' ' H ' ' F' ' 38' ' ' GLY . . . -155.26 155.49 26.28 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' F' ' 39' ' ' VAL . . . -146.02 144.91 13.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.01 122.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.626 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' H' ' 2' ' ' ALA . 73.2 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' H' ' 1' ' ' ASP . . . 54.7 167.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.82 118.49 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.71 137.17 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -68.69 -154.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' H' ' 7' ' ' ASP . 9.0 t-80 64.04 114.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . 0.701 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 11.5 m-20 56.27 117.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.624 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -178.08 131.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 0.892 ' HA2' ' H ' ' I' ' 9' ' ' GLY . . . -150.84 150.5 22.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 24.3 m-85 -146.35 144.23 29.63 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 0.786 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.4 pm0 -146.34 145.85 30.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.678 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.474 ' N ' ' HG3' ' I' ' 11' ' ' GLU . 24.9 t -115.47 140.05 38.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.975 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -152.82 176.04 12.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.497 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 1.074 ' CG ' ' H ' ' H' ' 15' ' ' GLN . 31.5 t-80 -177.25 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 1.074 ' H ' ' CG ' ' H' ' 14' ' ' HIS . 41.2 tt0 -132.81 -103.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 2.8 tmtp? -51.2 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' H' ' 14' ' ' HIS . 6.4 tt -145.51 143.89 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.308 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 4.7 p -147.34 145.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.532 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.473 ' C ' ' CG ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -154.99 151.86 28.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.798 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 167.99 -166.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.032 0.444 . . . . 0.0 111.115 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.99 129.12 54.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.84 112.22 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' G' ' 22' ' ' GLU . 46.4 t0 -136.58 101.59 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.528 HG13 ' H ' ' H' ' 25' ' ' GLY . 0.2 OUTLIER -105.21 -174.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.528 ' H ' HG13 ' H' ' 24' ' ' VAL . . . 74.97 -99.56 1.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -143.73 158.97 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -110.01 -175.49 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -128.72 165.94 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.8 103.15 2.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -158.1 -140.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.468 ' H ' ' HB2' ' H' ' 30' ' ' ALA . 12.7 mt -145.09 144.58 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.166 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.93 146.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.511 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.535 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -150.52 148.29 19.32 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.535 ' HG ' ' C ' ' H' ' 33' ' ' GLY . 5.3 mt -150.11 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.569 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.466 ' C ' ' CG1' ' H' ' 36' ' ' VAL . 1.8 mpt? -149.54 146.66 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.466 ' CG1' ' C ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -154.23 153.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 152.08 23.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.47 148.67 20.11 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.1 120.83 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.509 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.85 -120.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -124.8 123.06 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' I' ' 4' ' ' PHE . 5.0 m-85 -125.7 141.83 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 57.68 -109.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.701 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 50.8 m80 -63.77 130.08 42.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' I' ' 8' ' ' SER . 1.2 p30 171.26 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.458 ' HB3' ' N ' ' J' ' 9' ' ' GLY . 1.4 m 39.59 81.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.382 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . 0.892 ' H ' ' HA2' ' H' ' 9' ' ' GLY . . . -65.21 -70.83 0.99 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 1.059 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.0 OUTLIER -147.42 144.01 28.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.786 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 35.4 tt0 -152.04 149.79 29.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.452 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.734 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 66.1 t 106.97 101.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.166 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -143.26 -86.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.914 ' HE2' ' H ' ' I' ' 17' ' ' LEU . 66.9 t60 56.69 -166.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.855 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 42.5 tp60 -146.79 -69.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 7.6 mptt -69.69 -80.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.914 ' H ' ' HE2' ' I' ' 14' ' ' HIS . 0.4 OUTLIER -146.0 144.06 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.256 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.548 ' CG2' ' CE2' ' I' ' 20' ' ' PHE . 2.2 p -148.96 147.06 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 21.4 t80 -154.44 151.85 29.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.732 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.28 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 129.13 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.246 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.24 120.22 39.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.543 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 13.8 t0 -135.87 112.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.398 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.559 HG12 ' H ' ' I' ' 25' ' ' GLY . 1.1 t -143.13 -146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.559 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 68.74 -78.16 0.27 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.7 p -153.64 106.3 2.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . 0.543 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -92.85 161.31 14.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.535 ' O ' ' NZ ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -117.96 164.89 14.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.24 107.9 2.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.516 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -155.12 -137.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -144.78 144.03 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.166 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.02 145.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.321 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.449 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -150.41 148.54 19.85 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 5.5 mp -153.26 151.53 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.462 ' O ' HG12 ' I' ' 36' ' ' VAL . 0.0 OUTLIER -150.83 149.61 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.252 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.462 HG12 ' O ' ' I' ' 35' ' ' MET . 6.8 m -152.34 151.7 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.625 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.39 151.77 23.49 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.66 147.99 18.84 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.25 123.27 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.428 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' J' ' 4' ' ' PHE . . . -78.11 78.15 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.98 20.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' J' ' 2' ' ' ALA . 41.7 m-85 -85.85 -33.17 21.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' J' ' 6' ' ' HIS . 3.8 mmp_? -76.88 -154.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' J' ' 5' ' ' ARG . 85.8 m-70 -158.11 -174.03 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . 0.634 ' N ' ' OD1' ' J' ' 7' ' ' ASP . 4.0 p-10 -159.11 -172.66 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.603 ' C ' ' O ' ' J' ' 7' ' ' ASP . 2.2 p 19.79 98.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -60.82 -68.82 1.5 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 1.059 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.3 OUTLIER 164.37 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 110.683 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 1.027 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 17.1 tp10 164.0 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 1.027 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 85.4 t -42.02 -88.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.721 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' J' ' 12' ' ' VAL . 1.9 m-70 163.51 -83.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 p80 179.43 -176.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -139.03 -50.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 2.3 tptp -95.75 -80.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' I' ' 17' ' ' LEU . 5.0 tp -151.14 147.82 27.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -151.53 151.09 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' I' ' 19' ' ' PHE . 2.0 m-85 -155.26 152.81 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.361 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 0.5 OUTLIER 174.01 -173.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.47 . . . . 0.0 111.119 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 114.19 26.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -111.75 102.13 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.538 ' O ' ' OD2' ' J' ' 7' ' ' ASP . 0.7 OUTLIER -139.06 142.34 38.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.737 ' O ' ' N ' ' J' ' 26' ' ' SER . 2.8 t -34.06 131.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' I' ' 24' ' ' VAL . . . -47.75 74.83 0.0 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.737 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.1 OUTLIER -144.29 101.99 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 110.475 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -83.65 171.76 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 141.06 50.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.92 93.44 1.06 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -175.7 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 mt -146.56 145.96 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.21 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -147.93 146.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.827 0.346 . . . . 0.0 110.535 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.38 147.83 18.38 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -150.98 149.69 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -148.97 147.13 28.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.76 153.24 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.45 154.81 25.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.95 149.43 21.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.02 141.71 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.428 ' OXT' ' O ' ' I' ' 40' ' ' VAL . 39.6 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.835 ' OG ' ' N ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.835 ' N ' ' OG ' ' A' ' 8' ' ' SER . . . 66.31 69.12 1.43 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CE2' ' CE1' ' B' ' 10' ' ' TYR . 17.7 t80 -139.88 136.76 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -144.24 144.97 31.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.295 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 1.047 HG23 ' HA ' ' B' ' 12' ' ' VAL . 30.3 m -115.9 68.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.689 ' CG ' ' H ' ' A' ' 14' ' ' HIS . 9.3 t60 36.66 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.113 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.778 ' CB ' ' HE2' ' B' ' 14' ' ' HIS . 4.2 p80 -156.04 -165.98 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.729 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 8.0 tp-100 -176.35 158.1 1.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.785 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 9.0 mmtm 42.78 30.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.449 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.785 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 151.62 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.588 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 1.012 ' O ' HG12 ' B' ' 18' ' ' VAL . 12.9 p -171.75 169.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 111.772 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.0 ' CE2' ' O ' ' A' ' 34' ' ' LEU . 29.1 t80 155.58 -155.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 156.25 -151.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.505 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.781 ' CB ' ' O ' ' B' ' 21' ' ' ALA . . . 146.14 134.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.744 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -144.77 172.74 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.738 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 5.7 t0 -96.58 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.659 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 28.1 m -110.26 48.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.68 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 175.53 -87.21 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.566 ' H ' HG22 ' B' ' 24' ' ' VAL . 23.2 t -171.42 95.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.835 ' HA ' ' HB ' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -83.36 139.82 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.297 179.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' C' ' 24' ' ' VAL . 0.5 OUTLIER -133.04 -157.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.963 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.752 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -30.21 114.88 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.982 ' O ' HD13 ' A' ' 31' ' ' ILE . . . 134.38 157.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 1.263 ' HA ' ' N ' ' C' ' 23' ' ' ASP . 1.1 mp -148.66 143.54 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.449 ' H ' ' C ' ' C' ' 22' ' ' GLU . 1.5 pp -160.34 161.82 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' B' ' 21' ' ' ALA . . . -154.37 154.94 25.86 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.719 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 1.024 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 0.4 OUTLIER -147.67 144.07 28.1 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 1.091 ' HB3' ' CD1' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -158.97 159.49 34.9 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 111.957 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.94 140.78 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.284 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.704 ' O ' ' CA ' ' B' ' 37' ' ' GLY . . . 152.36 -149.15 20.77 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.548 ' HA2' ' H ' ' B' ' 38' ' ' GLY . . . -166.27 163.57 36.96 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.766 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.771 ' HB ' ' H ' ' B' ' 40' ' ' VAL . 84.1 t -83.49 117.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.502 -0.349 . . . . 0.0 110.436 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 171.33 129.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 26' ' ' SER . 13.8 mm-40 -122.19 126.82 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.29 -149.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -159.41 -169.6 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.573 ' O ' ' O ' ' B' ' 7' ' ' ASP . 22.6 m80 53.52 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . 0.617 ' C ' ' H ' ' A' ' 8' ' ' SER . 6.8 m-20 50.37 163.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.613 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.6 OUTLIER 171.61 -11.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.435 ' H ' ' HA ' ' A' ' 8' ' ' SER . . . -147.0 143.53 11.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.591 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 12.0 t80 -147.48 144.59 28.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.655 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.632 ' HB3' ' CD1' ' B' ' 20' ' ' PHE . 1.7 mt-10 -140.83 143.13 34.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 1.047 ' HA ' HG23 ' A' ' 12' ' ' VAL . 11.5 m -118.01 126.8 75.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.949 ' O ' ' O ' ' B' ' 12' ' ' VAL . 10.3 p-80 -27.32 -179.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.558 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.778 ' HE2' ' CB ' ' A' ' 14' ' ' HIS . 8.6 p80 -154.1 -137.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 17' ' ' LEU . 2.7 mt-30 171.53 171.86 0.09 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.932 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 3.7 mptp? 29.78 37.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.932 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER 151.15 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 1.012 HG12 ' O ' ' A' ' 18' ' ' VAL . 8.9 p -177.15 176.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.682 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 1.595 ' CD1' ' HB2' ' C' ' 19' ' ' PHE . 1.0 OUTLIER 157.66 -156.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.118 -179.273 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 1.231 ' N ' ' HD2' ' B' ' 19' ' ' PHE . 8.6 m-30 146.59 -146.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.808 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 1.044 ' HB3' ' O ' ' A' ' 32' ' ' ILE . . . 172.73 -130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.658 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 1.5 mm-40 89.29 68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.738 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 7.6 t0 -62.77 -143.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.773 ' O ' HG13 ' C' ' 24' ' ' VAL . 1.9 p -160.26 158.34 2.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.554 ' CA ' ' O ' ' A' ' 26' ' ' SER . . . -37.72 -19.28 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.653 ' N ' ' O ' ' B' ' 24' ' ' VAL . 35.6 m -98.08 88.83 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.506 ' OD1' ' OD1' ' C' ' 23' ' ' ASP . 2.4 t-20 -173.51 -156.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.514 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 1.6 mmtt -91.36 160.71 15.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.818 ' H ' ' HB3' ' C' ' 27' ' ' ASN . . . -99.61 78.65 0.49 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.704 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -179.44 -134.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.835 HG22 ' H ' ' C' ' 32' ' ' ILE . 0.8 OUTLIER -140.35 139.66 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 1.231 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 1.2 mt -152.1 147.69 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.329 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 1.265 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -145.08 146.09 16.07 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 1.024 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -147.94 143.72 27.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 117.417 0.609 . . . . 0.0 110.442 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.783 ' O ' ' N ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -146.26 148.03 32.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.676 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 0.4 OUTLIER -145.57 140.22 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.704 ' CA ' ' O ' ' A' ' 37' ' ' GLY . . . 153.17 -150.91 22.74 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.548 ' H ' ' HA2' ' A' ' 38' ' ' GLY . . . -156.84 156.11 26.91 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.439 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.824 ' N ' ' O ' ' C' ' 38' ' ' GLY . 26.3 t -103.44 115.81 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.351 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.771 ' H ' ' HB ' ' A' ' 39' ' ' VAL . 10.1 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . 0.459 ' H3 ' ' H ' ' C' ' 2' ' ' ALA . 1.2 p30 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . 0.459 ' H ' ' H3 ' ' C' ' 1' ' ' ASP . . . -149.88 151.31 33.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 1.084 ' HG ' ' HB3' ' D' ' 17' ' ' LEU . 2.1 mm? . . . . . 0 CA--C 1.527 0.083 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 1.124 ' CG2' ' H ' ' C' ' 19' ' ' PHE . 3.5 p 143.21 -141.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.22 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 1.595 ' HB2' ' CD1' ' B' ' 19' ' ' PHE . 0.1 OUTLIER 73.16 71.33 0.13 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 1.329 ' HA ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -67.02 -73.95 0.12 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.57 0.623 . . . . 0.0 110.706 179.01 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.84 ' O ' ' HB1' ' B' ' 21' ' ' ALA . . . 166.93 -138.82 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 1.449 ' C ' ' H ' ' A' ' 32' ' ' ILE . 3.3 mm-40 117.76 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.662 0.268 . . . . 0.0 110.682 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 1.263 ' N ' ' HA ' ' A' ' 31' ' ' ILE . 33.3 t0 -126.16 -133.9 0.25 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.994 0.426 . . . . 0.0 111.533 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.835 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -156.43 161.19 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.674 ' HA2' ' O ' ' A' ' 29' ' ' GLY . . . -99.98 86.58 0.68 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -167.19 62.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.818 ' HB3' ' H ' ' B' ' 29' ' ' GLY . 0.1 OUTLIER 170.68 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.542 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.614 ' C ' ' O ' ' B' ' 29' ' ' GLY . 10.3 ptmt -50.67 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.565 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . . . -150.79 93.76 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.455 ' HA ' ' ND2' ' D' ' 27' ' ' ASN . . . -172.59 -147.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.781 ' O ' ' CB ' ' D' ' 32' ' ' ILE . 6.2 mt -138.08 138.92 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.577 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.835 ' H ' HG22 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -149.95 146.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 1.241 ' O ' ' HG ' ' D' ' 34' ' ' LEU . . . -151.92 152.2 23.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 1.265 ' HG ' ' O ' ' B' ' 33' ' ' GLY . 1.3 pt? -151.98 148.73 28.09 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 1.03 ' HG3' ' H ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -148.63 149.62 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.316 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.783 ' N ' ' O ' ' B' ' 35' ' ' MET . 0.5 OUTLIER -146.85 142.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.151 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.61 -145.08 13.58 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . 0.919 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . 149.63 -146.55 15.94 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.168 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.733 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 3.5 t -105.35 155.48 6.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.451 ' N ' ' CG1' ' C' ' 39' ' ' VAL . 3.4 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 1.084 ' HB3' ' HG ' ' C' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 1.017 ' CG2' ' H ' ' D' ' 19' ' ' PHE . 1.3 m -63.71 -74.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 1.325 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 167.04 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.909 -177.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 1.396 ' N ' ' H ' ' E' ' 20' ' ' PHE . 34.7 m-85 160.44 -161.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.431 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . 1.004 ' HB1' ' O ' ' D' ' 20' ' ' PHE . . . 140.82 -78.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.449 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' O ' ' D' ' 21' ' ' ALA . 0.2 OUTLIER 88.78 179.39 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.644 ' HA ' HG12 ' C' ' 31' ' ' ILE . 6.4 t0 -126.69 158.84 35.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.927 0.394 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.575 HG13 ' N ' ' D' ' 27' ' ' ASN . 1.1 t -64.52 153.72 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.652 ' H ' ' CA ' ' A' ' 29' ' ' GLY . . . -44.78 -52.09 7.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -139.11 68.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.583 ' ND2' ' HD2' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -89.47 157.08 18.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.432 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' ND2' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -74.37 174.94 8.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' E' ' 30' ' ' ALA . . . -62.61 89.9 0.06 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.707 ' N ' ' OD1' ' E' ' 27' ' ' ASN . . . -167.58 145.6 4.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.611 ' O ' HG13 ' E' ' 32' ' ' ILE . 0.5 OUTLIER -143.23 143.66 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.952 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.781 ' CB ' ' O ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -149.38 145.74 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.197 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.696 ' O ' ' HG ' ' E' ' 34' ' ' LEU . . . -152.65 153.25 24.75 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.459 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 1.241 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 0.4 OUTLIER -149.77 145.77 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 110.444 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.666 ' HG2' ' H ' ' E' ' 36' ' ' VAL . 0.1 OUTLIER -145.25 146.62 31.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 1.03 ' H ' ' HG3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -146.25 141.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.558 ' O ' ' CA ' ' E' ' 37' ' ' GLY . . . 147.44 -145.58 14.4 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . 0.919 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . 145.56 -142.36 10.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.733 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 2.0 m -138.68 129.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 110.435 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 1.314 ' N ' ' HD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 1.111 ' O ' ' CG ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 71.95 73.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.467 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 1.396 ' H ' ' N ' ' D' ' 20' ' ' PHE . 33.1 m-85 -64.36 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 111.889 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . 0.89 ' O ' ' HB2' ' E' ' 22' ' ' GLU . . . 155.56 -87.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.668 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . 0.965 ' H ' HG21 ' G' ' 39' ' ' VAL . 0.0 OUTLIER 98.84 -177.87 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.976 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' E' ' 24' ' ' VAL . 9.6 t0 -140.01 154.76 47.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.617 HG13 ' N ' ' E' ' 25' ' ' GLY . 0.3 OUTLIER -85.7 -170.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.298 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.617 ' N ' HG13 ' E' ' 24' ' ' VAL . . . -36.09 -48.14 1.08 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.1 p -174.38 108.84 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.707 ' OD1' ' N ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -116.43 87.67 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -112.84 46.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 177.25 37.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.557 ' O ' ' OD1' ' E' ' 27' ' ' ASN . . . 170.04 108.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.385 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tp -143.73 144.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.21 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.611 HG13 ' O ' ' D' ' 31' ' ' ILE . 0.9 OUTLIER -149.41 144.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.57 161.7 32.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.862 ' HG ' ' HA ' ' D' ' 34' ' ' LEU . 1.2 pp -159.27 156.98 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.178 0.513 . . . . 0.0 111.125 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.637 ' SD ' ' SD ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -142.73 142.2 31.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.689 179.202 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.666 ' H ' ' HG2' ' D' ' 35' ' ' MET . 1.4 t -145.07 143.39 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.105 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.558 ' CA ' ' O ' ' D' ' 37' ' ' GLY . . . 143.91 -142.43 11.16 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . 0.486 ' O ' ' CA ' ' D' ' 38' ' ' GLY . . . 147.82 -146.33 15.89 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.264 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.559 HG11 ' O ' ' H' ' 33' ' ' GLY . 0.8 OUTLIER -148.49 155.13 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.742 0.306 . . . . 0.0 110.2 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.501 ' H ' HG21 ' D' ' 39' ' ' VAL . 5.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . 0.857 ' O ' ' HB2' ' F' ' 10' ' ' TYR . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' G' ' 10' ' ' TYR . 35.6 t80 142.26 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CG ' ' F' ' 10' ' ' TYR . 85.9 mt-10 -144.28 140.68 29.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.68 ' H ' ' H ' ' G' ' 12' ' ' VAL . 18.2 t -113.48 100.23 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.57 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -150.74 174.15 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.747 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.414 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 8.2 t60 -176.94 -130.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' F' ' 17' ' ' LEU . 36.5 mm-40 -131.19 170.39 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 48.8 mttm 42.39 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.502 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -143.49 141.63 30.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.855 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.817 ' H ' HG11 ' G' ' 18' ' ' VAL . 1.6 p -149.29 146.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -152.62 152.69 32.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.26 147.34 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.231 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -171.5 127.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' F' ' 23' ' ' ASP . 50.7 tt0 173.29 162.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' F' ' 22' ' ' GLU . 9.4 t70 -78.13 123.55 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' G' ' 23' ' ' ASP . 0.5 OUTLIER -101.55 108.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.31 -75.49 0.35 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.483 ' O ' ' OD2' ' F' ' 23' ' ' ASP . 68.7 m -148.77 118.71 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 4.0 t-20 -90.56 147.2 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.414 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 43.0 mtpt -121.04 -168.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.594 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.88 95.21 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' G' ' 30' ' ' ALA . . . -155.95 -175.28 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.449 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.46 142.41 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.415 HG23 ' H ' ' G' ' 32' ' ' ILE . 7.8 pt -151.71 150.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.031 0.444 . . . . 0.0 111.085 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.89 143.48 11.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.814 ' C ' ' HG3' ' F' ' 35' ' ' MET . 1.4 pt? -145.05 142.58 29.86 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.718 -0.283 . . . . 0.0 110.32 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.814 ' HG3' ' C ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.33 156.36 30.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 111.422 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.415 HG11 ' CE2' ' F' ' 19' ' ' PHE . 1.6 m -148.39 147.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.019 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' G' ' 37' ' ' GLY . . . 148.03 -145.98 15.12 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . 1.085 ' HA3' ' O ' ' G' ' 38' ' ' GLY . . . 155.47 -154.07 25.25 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.66 HG13 ' CD1' ' E' ' 20' ' ' PHE . 8.4 m -137.2 159.1 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.424 ' OXT' ' OE1' ' E' ' 22' ' ' GLU . 2.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.589 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' G' ' 2' ' ' ALA . 26.1 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . 0.415 ' H ' ' CG ' ' G' ' 1' ' ' ASP . . . -61.42 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -45.01 127.34 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.75 -51.53 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . 0.43 ' C ' ' CG ' ' G' ' 6' ' ' HIS . 12.3 mmm180 -72.71 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . 0.43 ' CG ' ' C ' ' G' ' 5' ' ' ARG . 2.5 p80 173.59 97.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -143.9 -70.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.47 ' O ' ' O ' ' H' ' 9' ' ' GLY . 1.4 m 56.65 30.23 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -61.6 -70.99 0.87 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.0 OUTLIER -171.99 173.1 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 111.22 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' H' ' 11' ' ' GLU . 2.1 pt-20 -151.84 150.88 30.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.456 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.804 ' O ' ' HA ' ' H' ' 12' ' ' VAL . 2.7 t 75.03 110.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' H' ' 13' ' ' HIS . 1.5 t60 -136.4 -113.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' G' ' 15' ' ' GLN . 31.0 t-80 -74.62 155.44 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' G' ' 14' ' ' HIS . 0.0 OUTLIER 156.96 140.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.498 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.706 ' NZ ' HE21 ' H' ' 15' ' ' GLN . 5.8 tptp -62.42 -66.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.608 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.829 ' O ' ' CG1' ' G' ' 18' ' ' VAL . 2.1 pp -150.66 147.04 26.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.211 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.829 ' CG1' ' O ' ' G' ' 17' ' ' LEU . 0.2 OUTLIER 163.62 -160.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.985 0.421 . . . . 0.0 111.038 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.775 ' C ' ' CD2' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -154.93 154.81 33.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.938 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 1.008 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -147.69 143.8 27.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -165.48 139.72 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.548 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.503 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.1 OUTLIER 173.98 142.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.716 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.527 ' CG ' HD21 ' H' ' 27' ' ' ASN . 1.6 m-20 -81.34 139.18 35.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 m -94.07 95.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.628 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' F' ' 24' ' ' VAL . . . 146.12 -84.11 0.19 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 26' ' ' SER . . . . . 0.561 ' O ' ' O ' ' H' ' 25' ' ' GLY . 73.0 m -146.43 178.2 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' OD2' ' F' ' 23' ' ' ASP . 16.1 p-10 -146.72 169.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.432 ' CD ' ' N ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -110.6 178.6 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.482 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 102.81 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' F' ' 30' ' ' ALA . . . -153.03 -156.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' H' ' 32' ' ' ILE . 69.7 mt -144.13 142.86 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.852 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.568 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 10.0 mt -145.46 144.06 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.549 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.569 ' C ' ' CD1' ' G' ' 34' ' ' LEU . . . -148.88 144.66 12.44 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.821 ' H ' HD21 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -148.46 149.32 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.754 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.7 ' SD ' ' SD ' ' F' ' 35' ' ' MET . 5.6 mtt -152.81 149.66 28.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.946 ' HA ' ' O ' ' H' ' 36' ' ' VAL . 25.4 m -155.5 155.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.474 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 66.94 72.13 0.82 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . 1.085 ' O ' ' HA3' ' F' ' 38' ' ' GLY . . . -64.93 -74.17 0.51 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.734 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.965 HG21 ' H ' ' E' ' 22' ' ' GLU . 0.3 OUTLIER -149.84 138.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.66 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.556 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.95 -173.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' H' ' 5' ' ' ARG . 33.8 mt-10 -84.26 150.19 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.22 45.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' H' ' 6' ' ' HIS . 48.1 mtp85 55.45 95.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' H' ' 5' ' ' ARG . 95.0 m-70 -158.85 170.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.26 -179.54 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.702 ' OG ' ' CD1' ' H' ' 10' ' ' TYR . 33.5 t -64.85 -75.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . 64.28 70.71 1.0 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' OG ' ' H' ' 8' ' ' SER . 0.5 OUTLIER -158.02 155.86 30.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 110.894 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' G' ' 11' ' ' GLU . 13.8 tt0 -148.73 149.78 32.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.804 ' HA ' ' O ' ' G' ' 12' ' ' VAL . 5.4 m -125.06 167.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.79 ' CD2' ' H ' ' H' ' 14' ' ' HIS . 18.6 t-160 -169.98 163.54 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.79 ' H ' ' CD2' ' H' ' 13' ' ' HIS . 0.5 OUTLIER -165.05 -164.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.678 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.766 ' N ' ' CG ' ' H' ' 14' ' ' HIS . 0.2 OUTLIER -134.39 -81.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.555 ' C ' ' HE2' ' H' ' 14' ' ' HIS . 22.1 mttp -59.53 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -143.81 142.5 30.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.456 ' HB ' ' CG ' ' H' ' 14' ' ' HIS . 1.0 OUTLIER -151.23 148.04 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.612 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.682 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.9 OUTLIER -157.49 156.83 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 1.09 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 47.9 p90 168.71 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.92 138.6 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -131.65 124.33 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.767 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 3.2 p30 -140.03 146.77 39.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.63 ' C ' ' H ' ' H' ' 26' ' ' SER . 2.8 p -34.29 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -48.46 -5.94 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 26' ' ' SER . . . . . 0.63 ' H ' ' C ' ' H' ' 24' ' ' VAL . 4.7 t -87.75 110.73 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.606 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.527 HD21 ' CG ' ' G' ' 23' ' ' ASP . 11.1 t-20 -98.04 -178.38 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.562 ' HZ1' ' ND2' ' I' ' 27' ' ' ASN . 0.0 OUTLIER -108.46 143.58 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 85.8 1.12 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' I' ' 30' ' ' ALA . . . -167.33 -118.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.583 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -146.44 144.96 20.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 1.4 mt -146.88 145.4 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.624 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -150.0 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' G' ' 34' ' ' LEU . 4.7 mp -147.58 145.47 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.346 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -144.97 143.22 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.969 HG23 ' H ' ' I' ' 36' ' ' VAL . 1.4 t -164.78 163.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 111.228 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' I' ' 37' ' ' GLY . . . 155.18 -156.54 27.01 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' I' ' 38' ' ' GLY . . . -148.36 145.01 13.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.921 ' H ' ' HA ' ' I' ' 39' ' ' VAL . 16.4 t -114.61 122.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.46 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . 0.566 ' H ' HG23 ' G' ' 39' ' ' VAL . 2.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.554 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' H' ' 5' ' ' ARG . 31.6 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.17 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.65 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -137.1 -63.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' I' ' 5' ' ' ARG . 57.5 t80 58.49 177.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' I' ' 4' ' ' PHE . 22.9 ttt180 70.63 146.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.546 ' N ' ' CD2' ' I' ' 6' ' ' HIS . 2.4 m170 -84.35 -143.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.561 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' I' ' 8' ' ' SER . 81.0 m-20 55.08 -113.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.427 ' O ' ' O ' ' I' ' 7' ' ' ASP . 7.6 t 58.04 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 143.03 11.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.907 ' O ' ' C ' ' J' ' 10' ' ' TYR . 6.2 t80 -147.58 146.66 29.48 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.693 ' N ' ' CD1' ' I' ' 10' ' ' TYR . 65.8 mt-10 -148.72 145.83 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.721 ' HB ' ' H ' ' J' ' 12' ' ' VAL . 74.8 t -111.37 115.25 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.363 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' H' ' 11' ' ' GLU . 2.2 m-70 -94.43 163.73 13.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.52 ' CD2' ' CG1' ' J' ' 18' ' ' VAL . 18.2 p-80 -166.41 -178.05 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -143.25 -53.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -99.96 -75.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.413 HD13 ' H ' ' I' ' 18' ' ' VAL . 59.7 tp -145.75 143.64 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.296 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.413 ' H ' HD13 ' I' ' 17' ' ' LEU . 37.3 t -147.7 145.8 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.288 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.682 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 15.4 t80 -157.54 155.56 30.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 1.09 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 160.4 -158.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 179.651 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.81 124.74 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -107.13 96.57 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.767 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 38.0 t70 -115.64 124.03 49.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.221 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.518 ' O ' ' CA ' ' J' ' 25' ' ' GLY . 2.2 t -136.44 165.98 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.695 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.79 -59.74 0.44 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.478 ' O ' ' O ' ' J' ' 25' ' ' GLY . 0.2 OUTLIER -169.89 141.47 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' HZ1' ' H' ' 28' ' ' LYS . 34.0 m-20 -117.63 158.64 24.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 162.08 17.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.31 105.59 1.68 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.945 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . -156.9 -145.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -145.24 146.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.086 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -147.07 144.84 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.486 ' C ' ' CD2' ' I' ' 34' ' ' LEU . . . -152.07 149.67 21.4 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' J' ' 34' ' ' LEU . 0.1 OUTLIER -157.19 156.0 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 111.159 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.64 ' O ' HG23 ' J' ' 36' ' ' VAL . 1.7 ttt -148.68 146.2 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.622 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.969 ' H ' HG23 ' H' ' 36' ' ' VAL . 0.5 OUTLIER -155.04 155.98 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 111.386 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' H' ' 37' ' ' GLY . . . 63.5 69.93 1.19 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . 0.539 ' O ' ' HA2' ' H' ' 38' ' ' GLY . . . -62.3 -73.05 0.56 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.751 -0.539 . . . . 0.0 111.751 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.921 ' HA ' ' H ' ' H' ' 39' ' ' VAL . 0.7 OUTLIER -128.53 161.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.554 ' HA ' ' H ' ' J' ' 40' ' ' VAL . 32.2 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.23 52.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.658 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' J' ' 5' ' ' ARG . 4.9 mm-40 -104.66 30.78 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -42.74 97.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' J' ' 3' ' ' GLU . 79.3 mtt85 49.52 -177.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.05 178.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' J' ' 8' ' ' SER . 7.5 p-10 -141.69 -114.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.459 ' H ' ' CG ' ' J' ' 7' ' ' ASP . 0.3 OUTLIER -36.56 108.73 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -58.76 -68.27 1.77 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.907 ' C ' ' O ' ' I' ' 10' ' ' TYR . 3.6 m-85 -161.18 161.9 31.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.536 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -154.65 152.03 29.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.721 ' H ' ' HB ' ' I' ' 12' ' ' VAL . 14.7 t 77.1 134.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.58 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.9 t60 -113.03 -73.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.466 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.2 t-80 155.13 124.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.568 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -172.57 -135.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -50.6 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -149.66 146.96 27.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.52 ' CG1' ' CD2' ' I' ' 14' ' ' HIS . 34.2 m -150.66 149.66 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.666 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 7.2 m-85 -152.46 149.77 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.666 ' CG ' ' C ' ' J' ' 19' ' ' PHE . 0.1 OUTLIER 169.48 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.38 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' J' ' 22' ' ' GLU . 1.2 mp0 -125.61 110.63 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -130.12 162.96 27.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.399 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.637 ' C ' ' H ' ' J' ' 26' ' ' SER . 2.2 p -44.13 160.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.697 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' I' ' 24' ' ' VAL . . . -53.96 1.01 0.04 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.637 ' H ' ' C ' ' J' ' 24' ' ' VAL . 1.6 t -83.47 96.91 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.518 HD22 ' CG ' ' I' ' 23' ' ' ASP . 3.4 m-80 -109.8 177.33 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -99.24 127.34 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 95.17 1.8 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' I' ' 30' ' ' ALA . . . -169.31 -106.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mt -147.09 147.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -149.76 146.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.262 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.4 22.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' I' ' 34' ' ' LEU . 2.5 mt -151.18 147.86 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.664 ' O ' ' CG1' ' J' ' 36' ' ' VAL . 4.6 ptm -151.95 149.68 29.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.664 ' CG1' ' O ' ' J' ' 35' ' ' MET . 0.0 OUTLIER 169.64 -166.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.308 0.575 . . . . 0.0 111.106 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 0.982 ' HA2' ' H ' ' I' ' 37' ' ' GLY . . . 153.94 -154.18 25.33 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . 0.653 ' O ' ' O ' ' I' ' 39' ' ' VAL . . . -151.98 150.21 22.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' J' ' 39' ' ' VAL . 5.1 m -107.59 120.71 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.554 ' H ' ' HA ' ' I' ' 40' ' ' VAL . 2.3 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 8' ' ' SER . 30.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.744 0.307 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.59 68.79 1.51 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -151.97 149.77 29.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.68 150.41 31.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' B' ' 13' ' ' HIS . 3.5 t -113.1 148.02 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -173.92 153.7 2.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.686 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.5 t-80 -172.86 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.686 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 38.2 mt-30 -145.77 -175.88 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 41.6 mtpt 42.77 -98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -145.55 143.99 30.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.112 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' ND1' ' A' ' 14' ' ' HIS . 72.0 t -148.53 146.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.625 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.663 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -147.69 146.39 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.771 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 38.0 m-85 -156.12 154.19 30.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.47 101.38 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.443 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.42 173.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.2 p30 -98.46 140.45 32.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.23 111.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.46 -80.55 0.27 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -139.62 130.47 26.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.626 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.76 130.65 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -97.89 -166.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.01 92.55 0.25 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.39 -169.86 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 mt -145.94 144.81 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.298 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.4 146.9 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.53 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 147.7 18.22 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.672 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.3 146.79 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.591 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ttt -149.47 146.41 27.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.22 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 9.0 m -150.81 151.26 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 148.25 19.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.05 149.9 21.78 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.07 149.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . 0.447 ' O ' ' CE1' ' B' ' 4' ' ' PHE . . . -159.12 -174.73 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.3 -30.71 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' B' ' 2' ' ' ALA . 14.7 m-85 58.52 -161.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER 44.14 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.487 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' B' ' 7' ' ' ASP . 0.2 OUTLIER -127.14 171.19 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 6' ' ' HIS . 10.9 t70 59.63 126.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 8' ' ' SER . 50.0 m -92.11 -29.93 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.32 68.46 1.65 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -146.98 145.53 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.306 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -154.81 152.42 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.94 133.1 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.445 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.5 t60 -164.1 131.19 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.575 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 0.0 OUTLIER -148.24 -153.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -129.16 170.63 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.9 mptp? 56.5 -99.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.37 144.5 29.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.332 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.44 ' CG1' ' CE2' ' B' ' 20' ' ' PHE . 58.2 t -151.12 149.5 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -158.8 156.27 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.771 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.62 -169.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.16 114.42 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.108 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.01 134.98 33.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.567 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 65.0 t0 -150.69 111.97 4.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.165 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -178.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.12 -87.4 1.35 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -159.3 114.83 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.302 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -79.71 152.34 29.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.495 ' NZ ' ' HG ' ' C' ' 26' ' ' SER . 0.1 OUTLIER -112.41 174.75 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.458 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.2 94.59 0.55 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' H ' ' C' ' 30' ' ' ALA . . . -143.84 -158.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 mt -145.25 144.49 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.211 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.89 145.67 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.4 153.3 24.71 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 2.0 pt? -158.54 157.11 31.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.91 148.92 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.267 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.403 HG12 ' H ' ' C' ' 36' ' ' VAL . 32.5 m -151.24 151.16 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.95 149.97 21.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.03 148.66 20.16 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.86 143.18 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.559 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.82 133.86 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.21 146.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.499 ' CD2' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -156.19 153.33 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.625 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.43 -169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.44 . . . . 0.0 111.232 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.04 123.34 41.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CE2' ' C' ' 20' ' ' PHE . 64.2 mm-40 -94.77 117.23 29.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' D' ' 23' ' ' ASP . 10.8 t70 -141.1 108.45 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.452 HG12 ' H ' ' C' ' 25' ' ' GLY . 2.9 t -122.86 176.15 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.529 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.452 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.58 -96.21 2.11 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . 0.495 ' HG ' ' NZ ' ' B' ' 28' ' ' LYS . 5.5 t -147.62 119.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' C' ' 28' ' ' LYS . 36.8 t30 -80.96 173.61 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -120.64 167.62 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.511 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.03 96.96 1.84 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' D' ' 30' ' ' ALA . . . -152.17 -141.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -145.19 144.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.157 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -146.12 144.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' C' ' 34' ' ' LEU . . . -148.35 146.06 15.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' C' ' 33' ' ' GLY . 5.7 mp -149.75 148.37 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 110.705 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 35' ' ' MET . 0.0 OUTLIER -149.65 147.06 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.403 ' H ' HG12 ' B' ' 36' ' ' VAL . 27.6 m -153.12 153.13 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.17 151.38 23.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.0 148.36 19.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 40' ' ' VAL . 6.1 m -120.12 125.1 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 39' ' ' VAL . 29.2 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.775 0.321 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' D' ' 20' ' ' PHE . 2.8 p -147.54 145.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.478 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 59.1 t80 -155.11 152.61 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.711 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.624 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER 172.16 -171.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.018 0.437 . . . . 0.0 111.28 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 127.67 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -97.17 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.702 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 33.9 t0 -133.4 105.47 6.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.383 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.512 ' CG1' ' H ' ' D' ' 25' ' ' GLY . 3.9 t -141.76 178.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.512 ' H ' ' CG1' ' D' ' 24' ' ' VAL . . . 92.15 -86.61 1.24 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -144.59 109.4 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.418 HD21 ' N ' ' D' ' 27' ' ' ASN . 1.4 m-80 -94.2 171.26 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.24 163.74 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 102.99 2.81 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' E' ' 30' ' ' ALA . . . -157.16 -129.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' D' ' 32' ' ' ILE . 9.1 tt -145.1 144.03 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' D' ' 31' ' ' ILE . 6.3 mm -146.35 145.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.315 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.73 147.31 17.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mp -150.23 148.43 28.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.707 0.289 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' D' ' 35' ' ' MET . 4.1 ppp? -150.19 148.11 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -153.74 153.22 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.547 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.25 153.15 24.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.41 149.97 21.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.85 154.43 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.864 0.364 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 5.4 m-85 -153.65 151.45 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.206 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.704 ' HD1' ' N ' ' E' ' 20' ' ' PHE . 0.0 OUTLIER -179.07 179.35 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.128 0.49 . . . . 0.0 111.356 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 119.57 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -92.02 113.46 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -136.21 108.87 7.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.491 HG21 ' N ' ' E' ' 25' ' ' GLY . 0.2 OUTLIER -166.75 156.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.491 ' N ' HG21 ' E' ' 24' ' ' VAL . . . 85.17 -34.98 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -143.13 105.43 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' E' ' 27' ' ' ASN . 0.6 OUTLIER -137.3 172.86 12.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.549 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -132.4 151.87 51.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.93 99.06 2.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.617 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . -156.76 -116.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.553 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.48 ' O ' ' CD1' ' E' ' 32' ' ' ILE . 3.2 pt -145.31 144.62 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' E' ' 31' ' ' ILE . 6.5 mm -146.0 144.47 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.15 149.52 21.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -150.6 148.41 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.418 ' O ' ' CG1' ' E' ' 36' ' ' VAL . 12.3 ptm -151.69 149.44 29.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' E' ' 35' ' ' MET . 29.4 m -156.6 156.06 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.76 153.33 24.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.55 19.85 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -115.81 154.8 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.571 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . 1.017 ' HA2' ' H ' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.513 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -163.81 161.57 23.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.255 0.55 . . . . 0.0 111.458 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.886 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.9 pm0 -147.24 145.65 29.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.578 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.995 ' HB ' ' H ' ' G' ' 13' ' ' HIS . 98.6 t -71.35 92.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.497 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.447 ' HA ' ' ND1' ' G' ' 13' ' ' HIS . 25.7 p-80 -96.91 134.0 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 176.81 172.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' G' ' 15' ' ' GLN . 17.9 mt-30 -148.14 -177.52 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.3 mttt 55.15 -120.73 1.65 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.755 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 0.3 OUTLIER -147.63 144.48 28.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.025 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.91 ' O ' HG21 ' G' ' 18' ' ' VAL . 10.0 p 162.19 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.844 ' H ' ' CG2' ' F' ' 18' ' ' VAL . 0.1 OUTLIER -159.96 159.35 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.54 ' HB2' ' CE2' ' G' ' 20' ' ' PHE . 11.3 m-85 -161.87 159.9 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.762 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.46 134.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.644 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 9.9 pt-20 -177.17 132.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 146.65 37.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' F' ' 25' ' ' GLY . 0.2 OUTLIER -136.94 162.92 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . 0.581 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 100.23 -44.93 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' G' ' 27' ' ' ASN . 1.2 m -168.19 91.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.52 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -96.73 109.7 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -103.96 -158.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.488 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.28 89.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.8 -178.47 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 mt -146.65 145.14 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.397 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.9 145.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 146.12 15.41 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.68 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.77 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 110.555 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 6.6 tpt -151.45 148.92 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.589 HG11 ' CZ ' ' F' ' 19' ' ' PHE . 14.3 m -151.6 151.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.15 146.42 15.77 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.27 153.32 24.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.56 139.07 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.309 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.577 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' G' ' 6' ' ' HIS . 26.2 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.78 86.17 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . 0.515 ' O ' ' CE1' ' G' ' 6' ' ' HIS . 4.8 mt-10 61.8 124.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -68.11 156.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 50.97 70.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . 0.628 ' N ' ' ND1' ' G' ' 6' ' ' HIS . 0.5 OUTLIER -60.54 120.56 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' G' ' 8' ' ' SER . 39.5 t0 -119.94 -22.89 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.968 ' HA ' ' N ' ' F' ' 9' ' ' GLY . 0.9 OUTLIER 35.85 42.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . 1.286 ' O ' ' N ' ' H' ' 10' ' ' TYR . . . -66.26 -71.45 0.9 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.991 ' HB2' ' O ' ' G' ' 9' ' ' GLY . 0.1 OUTLIER 146.98 -143.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 0.886 ' HA ' ' HA ' ' F' ' 11' ' ' GLU . 3.6 mt-10 -163.89 162.12 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.453 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.796 ' O ' HG22 ' H' ' 12' ' ' VAL . 39.1 t 124.84 59.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.995 ' H ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 t-80 -132.4 162.8 30.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.501 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 1.016 ' CG ' ' H ' ' G' ' 15' ' ' GLN . 81.7 t60 176.0 -164.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.524 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 1.016 ' H ' ' CG ' ' G' ' 14' ' ' HIS . 13.6 tt0 -139.31 -67.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -90.58 -87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.836 ' N ' ' HE2' ' G' ' 14' ' ' HIS . 1.9 pp -150.05 146.6 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.027 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.91 HG21 ' O ' ' F' ' 18' ' ' VAL . 11.2 p 174.58 -173.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.22 0.534 . . . . 0.0 111.32 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.881 ' H ' ' CG2' ' G' ' 18' ' ' VAL . 9.6 t80 -148.06 149.04 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.553 ' N ' ' CD1' ' G' ' 19' ' ' PHE . 9.5 m-85 -144.69 142.82 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.37 128.83 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.237 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.644 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.2 OUTLIER 173.22 155.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.856 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.422 ' OD1' ' OD1' ' G' ' 27' ' ' ASN . 3.5 p-10 -102.36 149.2 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.472 HG21 ' N ' ' G' ' 25' ' ' GLY . 14.3 p -134.4 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.688 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.472 ' N ' HG21 ' G' ' 24' ' ' VAL . . . 113.29 -69.21 0.23 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 26' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' G' ' 26' ' ' SER . 47.2 p -155.84 95.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' F' ' 26' ' ' SER . 39.7 t30 -92.04 136.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -109.8 -175.1 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.35 93.54 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' H' ' 30' ' ' ALA . . . -141.71 -172.27 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -146.2 145.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.294 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.98 145.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.405 ' C ' HD23 ' G' ' 34' ' ' LEU . . . -153.83 151.36 23.1 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.405 HD23 ' C ' ' G' ' 33' ' ' GLY . 0.1 OUTLIER -159.4 159.31 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.912 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' G' ' 35' ' ' MET . 3.8 ppp? -153.95 150.52 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.249 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.577 HG12 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -154.6 155.65 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.08 151.42 23.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.9 146.17 15.54 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.66 160.83 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.617 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.631 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.38 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.69 2.65 6.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.45 72.88 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.34 104.8 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' OD2' ' I' ' 7' ' ' ASP . 59.3 m-70 -42.43 138.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.701 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.0 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' G' ' 8' ' ' SER . 1.3 t -176.02 173.47 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' I' ' 9' ' ' GLY . . . 66.13 67.08 2.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 1.286 ' N ' ' O ' ' G' ' 9' ' ' GLY . 32.7 p90 -138.59 136.43 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 1.146 ' O ' ' CG1' ' H' ' 12' ' ' VAL . 0.5 OUTLIER -57.36 -70.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.628 0.251 . . . . 0.0 110.675 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 1.146 ' CG1' ' O ' ' H' ' 11' ' ' GLU . 30.4 m 135.83 -128.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER 157.5 -161.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' H' ' 15' ' ' GLN . 7.7 t-80 78.57 107.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.63 ' OE1' ' ND1' ' I' ' 14' ' ' HIS . 0.0 OUTLIER 158.65 172.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.683 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -96.05 -62.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.64 ' O ' ' CG1' ' H' ' 18' ' ' VAL . 2.1 pp -148.7 145.08 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.737 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.834 HG13 ' H ' ' G' ' 18' ' ' VAL . 0.0 OUTLIER 177.64 -177.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.362 0.601 . . . . 0.0 111.663 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.83 ' O ' ' CD2' ' H' ' 20' ' ' PHE . 4.0 t80 -149.41 148.62 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.705 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.83 ' CD2' ' O ' ' H' ' 19' ' ' PHE . 27.4 m-85 -150.75 150.59 31.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.01 107.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 1.7 pm0 -166.1 158.69 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 1.3 p30 -122.73 164.49 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.266 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.86 HG11 ' H ' ' H' ' 25' ' ' GLY . 8.4 t -115.69 177.49 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.558 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.86 ' H ' HG11 ' H' ' 24' ' ' VAL . . . 82.81 -86.86 1.47 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -157.73 131.43 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' H' ' 28' ' ' LYS . 2.7 p-10 -97.04 -173.2 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.451 ' CD ' ' C ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -128.22 -179.36 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.644 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' G' ' 28' ' ' LYS . . . -94.08 104.39 3.15 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' I' ' 30' ' ' ALA . . . -151.2 -145.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.639 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.407 ' H ' ' HB1' ' H' ' 30' ' ' ALA . 25.4 mt -144.72 143.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.0 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.94 145.58 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.553 ' O ' ' HG ' ' H' ' 34' ' ' LEU . . . -147.58 144.24 12.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -150.72 150.74 31.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' H' ' 35' ' ' MET . 0.7 OUTLIER -146.97 144.5 29.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.091 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.706 HG12 ' H ' ' I' ' 36' ' ' VAL . 19.9 m -152.21 151.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.736 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.66 150.33 22.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.23 146.68 16.54 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.38 130.42 63.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.594 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.41 -169.52 0.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' I' ' 4' ' ' PHE . 23.9 mm-40 56.67 109.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' I' ' 3' ' ' GLU . 31.8 m-85 -163.65 164.85 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 57.37 160.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -82.76 -0.38 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.483 ' OD2' ' ND1' ' H' ' 6' ' ' HIS . 4.3 m-20 -45.55 -65.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 22.0 p -44.79 121.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -148.48 146.81 16.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -145.14 144.73 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.64 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 1.067 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 9.7 pt-20 -144.68 142.99 30.5 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.57 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.673 ' H ' ' HA ' ' J' ' 11' ' ' GLU . 0.4 OUTLIER -124.15 140.33 47.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.601 ' O ' ' CB ' ' H' ' 13' ' ' HIS . 8.5 t-160 -152.49 145.09 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.183 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.63 ' ND1' ' OE1' ' H' ' 15' ' ' GLN . 79.3 m-70 -159.08 -163.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.919 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' I' ' 16' ' ' LYS . 28.8 tt0 -128.14 -126.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.663 ' C ' ' O ' ' I' ' 15' ' ' GLN . 62.8 tttt -9.35 -88.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' H' ' 17' ' ' LEU . 2.2 pp -147.54 144.73 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.48 149.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.766 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.611 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 29.5 t80 -155.73 152.27 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.65 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 169.12 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 120.47 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.466 ' O ' ' OE1' ' J' ' 22' ' ' GLU . 3.3 mp0 -115.74 89.2 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' J' ' 23' ' ' ASP . 44.5 t0 -100.23 146.38 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' J' ' 25' ' ' GLY . 6.7 t -139.77 176.95 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.707 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.516 ' H ' ' CG1' ' I' ' 24' ' ' VAL . . . 99.08 -97.12 1.79 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.506 ' H ' ' HA3' ' J' ' 25' ' ' GLY . 93.8 p -143.89 107.92 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.56 166.39 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.714 ' CD ' ' H ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -103.69 129.64 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.42 102.74 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' J' ' 30' ' ' ALA . . . -163.6 -126.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.626 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -145.21 144.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.03 147.06 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' I' ' 34' ' ' LEU . . . -151.3 149.67 21.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' I' ' 33' ' ' GLY . 5.9 mp -150.62 149.75 30.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' J' ' 35' ' ' MET . 5.4 ptt? -149.07 146.59 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.706 ' H ' HG12 ' H' ' 36' ' ' VAL . 29.8 m -153.34 152.66 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.665 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 150.9 22.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.11 147.2 17.41 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 m -116.49 138.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.576 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.24 118.06 7.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -158.31 -12.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -87.61 156.75 19.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -86.37 0.19 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -43.89 -46.14 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.94 177.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.479 ' CB ' ' CE1' ' I' ' 10' ' ' TYR . 0.0 OUTLIER 42.32 91.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . 0.482 ' CA ' ' HA2' ' I' ' 9' ' ' GLY . . . -63.81 -71.69 0.81 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 1.067 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 29.1 t80 -156.2 154.65 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.573 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.687 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -157.11 157.74 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.662 HG13 ' O ' ' J' ' 11' ' ' GLU . 0.3 OUTLIER 87.05 118.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.795 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' J' ' 13' ' ' HIS . 53.6 t60 -126.19 17.44 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' J' ' 15' ' ' GLN . 1.0 OUTLIER 77.42 -152.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.551 ' CB ' ' O ' ' J' ' 14' ' ' HIS . 7.1 tp60 85.58 126.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.689 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' I' ' 16' ' ' LYS . 32.7 mmtm 40.07 -104.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.87 146.35 27.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -149.16 148.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 8.1 t80 -153.02 150.55 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.229 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 3.6 p90 175.77 -174.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.264 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.79 130.19 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.429 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' I' ' 22' ' ' GLU . 37.8 mm-40 -135.16 95.7 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.482 ' O ' ' OD1' ' I' ' 23' ' ' ASP . 16.8 t70 -123.95 160.07 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.35 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' J' ' 26' ' ' SER . 18.8 m -53.98 142.87 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.619 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' I' ' 24' ' ' VAL . . . -40.57 -22.4 0.05 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.7 OUTLIER -85.82 128.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.64 178.05 6.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.44 77.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.29 6.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.719 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -88.91 -12.5 41.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 tt -149.43 146.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.269 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -149.36 146.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.05 150.68 22.68 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.89 146.16 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.228 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.79 148.53 29.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.496 ' H ' HG12 ' I' ' 36' ' ' VAL . 17.4 m -155.23 153.41 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.96 153.25 24.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.18 150.77 22.67 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -106.26 151.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.591 ' H ' ' CB ' ' B' ' 8' ' ' SER . 3.2 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.33 69.75 1.23 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -153.63 151.21 29.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.593 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -154.79 154.03 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.97 114.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 10.3 p80 -155.82 166.23 34.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.584 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.642 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 22.9 t-160 -175.78 -116.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.642 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 2.9 tt0 -157.49 171.23 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.621 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 60.7 mttm 53.12 -95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 2.8 tt -145.61 144.95 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.032 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -151.1 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.394 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' CG2' ' A' ' 36' ' ' VAL . 2.2 p90 -149.76 147.86 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.403 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' B' ' 20' ' ' PHE . 26.8 m-85 -149.65 147.18 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.389 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.92 102.93 3.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' B' ' 22' ' ' GLU . 3.4 pt-20 171.76 157.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -72.71 132.99 44.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.52 114.51 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.73 -70.38 0.5 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.83 117.61 8.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -88.91 121.55 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -100.53 -168.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.72 80.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.01 -171.74 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.295 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mt -146.52 144.56 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.102 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.56 148.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 33' ' ' GLY . . . -152.2 149.74 21.48 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.701 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 1.6 pt? -153.8 152.83 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.012 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.657 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 28.5 ttt -156.47 152.64 27.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.261 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.988 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 0.0 OUTLIER 170.25 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.752 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.695 ' H ' ' HA2' ' B' ' 37' ' ' GLY . . . 67.63 69.67 1.32 Allowed Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.562 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . -142.98 140.52 9.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.653 HG23 ' H ' ' B' ' 40' ' ' VAL . 2.4 p -64.4 53.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 110.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' GLY . 33.4 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' B' ' 4' ' ' PHE . 14.2 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.71 -10.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -164.23 -13.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' B' ' 1' ' ' ASP . 89.9 m-85 51.06 178.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 6' ' ' HIS . 75.1 mtt85 -76.77 -115.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 5' ' ' ARG . 76.6 m80 56.72 155.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.664 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' B' ' 8' ' ' SER . 2.7 p30 -68.8 -171.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.591 ' CB ' ' H ' ' A' ' 8' ' ' SER . 1.4 p 156.53 143.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' A' ' 8' ' ' SER . . . -148.0 145.94 15.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -147.77 145.73 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.69 154.02 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -120.62 160.01 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.805 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 9.1 t60 -178.69 129.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' B' ' 13' ' ' HIS . 39.5 m-70 -141.03 -147.96 0.23 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.566 ' N ' ' OE1' ' B' ' 15' ' ' GLN . 19.1 mp0 -128.29 -109.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.893 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 65.6 mmtt -37.44 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.08 146.11 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.534 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.417 HG23 ' N ' ' B' ' 19' ' ' PHE . 9.5 p -148.55 146.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 8.0 p90 -154.72 152.68 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 10.7 p90 -168.78 168.89 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.32 116.99 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.225 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.9 pt-20 -178.87 169.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.588 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 41.9 p30 -117.32 155.07 30.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.388 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.24 108.34 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.1 -94.92 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -154.49 115.78 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.584 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.28 154.76 22.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -93.17 -178.97 4.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.7 105.78 1.56 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.63 -160.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.683 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.77 145.86 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.164 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 11.7 mt -147.8 145.79 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.282 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -156.18 153.81 25.03 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.701 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 3.2 pp -157.63 156.63 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.774 ' O ' ' CG2' ' B' ' 36' ' ' VAL . 1.9 tmt? -152.56 151.27 30.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.69 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.988 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER 155.7 -151.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.38 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.695 ' HA2' ' H ' ' A' ' 37' ' ' GLY . . . 153.55 -153.6 24.95 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . -144.0 142.77 11.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -76.62 141.27 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.653 ' H ' HG23 ' A' ' 39' ' ' VAL . 6.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.663 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.9 p30 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.84 -74.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.668 0.271 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 3.6 p -150.64 148.24 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.636 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -158.1 156.36 30.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.59 -169.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.55 112.59 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.314 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.93 116.72 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.693 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.588 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 47.1 t0 -140.12 119.65 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.265 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.48 HG13 ' H ' ' C' ' 25' ' ' GLY . 0.6 OUTLIER -128.58 179.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.624 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.48 ' H ' HG13 ' C' ' 24' ' ' VAL . . . 95.47 -87.48 1.03 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p -157.58 108.64 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.682 ' ND2' ' HZ1' ' C' ' 28' ' ' LYS . 9.7 t-20 -71.93 -176.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.682 ' HZ1' ' ND2' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -131.44 161.8 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.555 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.7 95.01 1.45 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -148.0 -139.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -144.48 143.6 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.156 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' B' ' 32' ' ' ILE . 11.5 mt -146.2 144.73 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.402 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -150.23 148.09 18.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 1.9 pt? -153.84 153.72 32.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptm -148.03 145.17 28.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.077 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.977 ' O ' ' HB ' ' B' ' 36' ' ' VAL . 18.4 m -150.09 146.85 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.35 153.73 25.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 149.53 21.24 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -94.49 120.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.444 ' H ' HG12 ' B' ' 39' ' ' VAL . 36.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -149.53 149.0 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.608 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 28.3 t80 -154.81 151.65 28.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' E' ' 20' ' ' PHE . 0.4 OUTLIER 177.52 -176.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 111.306 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.36 135.98 53.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -113.82 122.13 46.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.787 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -143.92 116.27 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.236 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.525 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -138.06 -174.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.525 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 88.71 -92.13 1.78 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -146.17 106.37 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.538 ' CB ' ' HZ2' ' C' ' 28' ' ' LYS . 13.0 m-80 -86.03 165.66 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.476 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -106.01 153.62 21.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.42 101.8 2.15 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.679 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.35 -127.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 0.0 110.552 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -144.31 143.61 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.208 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -146.94 145.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.374 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' E' ' 33' ' ' GLY . . . -149.75 148.29 19.44 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.61 ' N ' ' CD2' ' D' ' 34' ' ' LEU . 0.7 OUTLIER -152.32 149.19 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' E' ' 35' ' ' MET . 22.6 ptp -150.13 149.36 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -151.89 151.01 12.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.09 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.53 150.19 22.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.61 129.96 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.583 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.894 0.378 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 8.8 m-85 -155.02 153.28 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.647 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER 175.75 -174.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.81 112.46 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.467 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' E' ' 22' ' ' GLU . 1.4 mp0 -101.46 112.01 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.72 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' E' ' 22' ' ' GLU . 90.0 m-20 -137.57 132.1 32.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.63 108.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.85 37.41 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -135.95 149.33 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.602 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -137.61 172.47 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -127.97 -153.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -52.37 175.03 0.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . -70.73 5.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' E' ' 29' ' ' GLY . 7.9 mt -148.38 145.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -147.53 146.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -151.37 149.09 20.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mt -149.57 148.13 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.5 ptt? -152.64 149.82 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.612 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -156.0 155.57 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.98 153.3 24.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.89 152.91 24.45 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.61 163.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.615 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.549 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.683 ' HA ' ' HA ' ' G' ' 10' ' ' TYR . 13.3 p90 -146.11 144.88 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.891 ' H ' ' H ' ' G' ' 11' ' ' GLU . 0.0 OUTLIER -60.51 -72.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.995 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.557 HG22 ' H ' ' G' ' 13' ' ' HIS . 27.3 m -147.85 158.66 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.638 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 30.0 t-80 -171.3 82.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.65 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 1.5 m170 162.22 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' F' ' 14' ' ' HIS . 56.0 mm-40 75.4 127.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 74.0 mttt -56.6 -61.98 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.653 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.2 pp -148.48 144.75 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.664 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.702 ' CG2' ' H ' ' F' ' 19' ' ' PHE . 4.5 p 170.62 -169.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.215 0.531 . . . . 0.0 111.287 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.812 ' CZ ' HG13 ' F' ' 36' ' ' VAL . 0.1 OUTLIER -149.6 149.77 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.168 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 1.008 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 27.7 m-85 -148.7 145.29 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.533 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.53 112.72 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.468 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 176.44 177.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 1.2 p30 -101.21 133.53 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.655 ' H ' HG12 ' G' ' 24' ' ' VAL . 6.3 p -104.55 147.79 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.521 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -56.04 2.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -156.27 117.96 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.705 0.288 . . . . 0.0 110.624 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -102.37 144.15 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.529 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 11.5 mptt -107.03 -172.06 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.37 108.89 2.64 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.5 -164.03 1.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.705 0.288 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -143.32 142.2 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.99 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.75 146.69 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.429 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -147.2 145.99 15.32 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.662 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -149.09 146.76 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.57 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' G' ' 35' ' ' MET . 31.8 ttm -150.65 148.07 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.812 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 11.5 m -152.31 152.64 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.915 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.32 147.95 18.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.81 150.54 22.44 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.9 152.72 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.554 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.595 179.877 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.4 164.72 13.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.97 -1.52 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 50.65 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' G' ' 7' ' ' ASP . 2.4 mpt_? -83.03 -124.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 m80 52.57 12.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' NE ' ' H' ' 5' ' ' ARG . 1.8 m-20 64.88 164.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.539 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.447 ' OG ' ' CD1' ' G' ' 10' ' ' TYR . 45.7 t -72.04 -54.24 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.57 67.88 1.88 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.789 ' CZ ' ' CD1' ' H' ' 10' ' ' TYR . 3.8 p90 -151.35 149.82 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.428 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 0.891 ' H ' ' H ' ' F' ' 11' ' ' GLU . 0.5 OUTLIER -152.37 152.29 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.469 ' N ' ' HG2' ' G' ' 11' ' ' GLU . 0.8 OUTLIER -119.57 150.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.66 ' O ' ' CG ' ' G' ' 14' ' ' HIS . 1.7 t-80 179.82 159.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 30.4 m80 -162.81 -146.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' G' ' 17' ' ' LEU . 1.3 mp0 -138.26 -173.68 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 27.9 mmtp 33.56 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' G' ' 15' ' ' GLN . 1.3 pp -147.01 144.38 29.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' G' ' 19' ' ' PHE . 33.8 t -155.38 153.49 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -163.27 161.92 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 1.008 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 19.9 p90 161.96 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.73 127.41 32.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.318 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 2.4 tp10 -98.22 115.22 27.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.621 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 7.3 t70 -130.2 108.91 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.299 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.655 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.4 t -126.4 -158.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.679 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.598 ' H ' HG13 ' G' ' 24' ' ' VAL . . . 75.21 -82.03 0.91 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -152.2 110.96 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.649 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' F' ' 28' ' ' LYS . 63.6 t-20 -87.96 92.37 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.586 ' CD ' ' H ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -72.56 -179.13 2.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.81 88.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.46 -171.15 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.527 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -145.32 144.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.114 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.28 145.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 150.26 22.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 2.0 pt? -156.06 154.56 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -149.46 148.74 29.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' G' ' 19' ' ' PHE . 7.3 p -153.95 152.09 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.664 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.94 152.48 24.13 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.37 147.49 17.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -126.8 146.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.571 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.23 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 62.22 173.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' H' ' 5' ' ' ARG . 60.2 t80 -169.65 176.71 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . 0.622 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 12.4 ttp180 70.99 140.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' H' ' 5' ' ' ARG . 1.3 m-70 -49.32 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -55.87 133.73 51.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' I' ' 8' ' ' SER . 11.0 m -98.99 -1.85 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 0.407 ' N ' ' HA3' ' I' ' 9' ' ' GLY . . . 63.68 69.39 1.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.789 ' CD1' ' CZ ' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -151.73 148.16 27.56 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.382 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 1.177 ' HA ' ' O ' ' I' ' 10' ' ' TYR . 2.7 pm0 -153.43 153.46 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.201 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.673 ' H ' ' HA ' ' I' ' 11' ' ' GLU . 78.7 t -99.81 86.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.3 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.618 ' ND1' ' CE1' ' I' ' 13' ' ' HIS . 8.0 m170 -85.14 165.72 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' I' ' 13' ' ' HIS . 4.8 p-80 177.24 -178.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' H' ' 17' ' ' LEU . 3.1 mm-40 -138.32 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' G' ' 16' ' ' LYS . 5.6 mptp? 39.01 -89.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.1 pp -144.73 142.73 30.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.886 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 3.5 t -153.11 151.01 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.936 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.549 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.5 OUTLIER -155.56 153.31 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.391 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 169.8 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.033 0.444 . . . . 0.0 111.236 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.68 132.23 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.421 ' CD ' ' HH ' ' H' ' 10' ' ' TYR . 54.2 mm-40 -91.22 117.36 29.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' I' ' 26' ' ' SER . 1.8 t0 -143.95 94.72 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.42 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' H' ' 25' ' ' GLY . 2.9 p -139.6 164.17 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.64 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' H' ' 24' ' ' VAL . . . 100.63 -58.58 0.71 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 26' ' ' SER . . . . . 0.438 ' N ' ' OE2' ' I' ' 3' ' ' GLU . 3.4 m -165.53 115.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.588 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.599 ' ND2' ' CB ' ' I' ' 26' ' ' SER . 3.5 t-20 -90.72 167.16 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.522 ' N ' ' OD1' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -126.74 168.37 14.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.31 101.68 2.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.43 -147.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.642 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -144.06 143.63 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.83 144.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.455 ' C ' ' CD1' ' H' ' 34' ' ' LEU . . . -149.67 148.13 19.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' H' ' 33' ' ' GLY . 5.7 mp -149.41 147.91 28.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' I' ' 35' ' ' MET . 15.4 ptm -148.11 145.32 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.305 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 m -154.42 154.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.43 152.23 23.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.39 146.92 17.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' H' ' 40' ' ' VAL . 3.5 t -109.27 149.1 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' H' ' 39' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' CE1' ' I' ' 4' ' ' PHE . . . -42.96 108.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' I' ' 3' ' ' GLU . 1.5 pm0 -41.46 144.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' I' ' 2' ' ' ALA . 66.7 m-85 -124.12 -165.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 44.97 -161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.421 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 2.1 m-70 -95.34 115.12 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' I' ' 7' ' ' ASP . 1.2 m-20 -117.65 169.57 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.515 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.747 ' HB2' ' N ' ' J' ' 9' ' ' GLY . 0.9 OUTLIER 73.38 109.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.501 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . 0.53 ' C ' ' HA3' ' J' ' 9' ' ' GLY . . . -62.23 -68.79 1.51 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 1.239 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.1 OUTLIER -153.0 148.53 27.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 110.56 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.911 ' N ' ' N ' ' J' ' 10' ' ' TYR . 0.6 OUTLIER -153.37 151.59 30.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 110.596 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.744 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 91.3 t 111.81 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.618 ' CE1' ' ND1' ' H' ' 13' ' ' HIS . 1.6 t-160 -80.23 -152.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.566 ' O ' ' ND1' ' I' ' 14' ' ' HIS . 0.1 OUTLIER -156.7 129.17 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.568 HE21 HE22 ' H' ' 15' ' ' GLN . 2.0 mm-40 172.2 130.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 15.7 tptt 38.26 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' I' ' 15' ' ' GLN . 61.1 tp -148.14 145.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.373 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -146.85 145.75 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 19.5 t80 -152.45 149.62 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.9 p90 -177.85 178.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.093 0.473 . . . . 0.0 111.426 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.83 115.21 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' I' ' 11' ' ' GLU . 15.1 mt-10 -91.65 103.37 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.12 115.28 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.444 HG13 ' N ' ' J' ' 25' ' ' GLY . 0.7 OUTLIER -42.88 137.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.411 ' C ' ' OD1' ' H' ' 23' ' ' ASP . . . 45.95 -159.95 0.23 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.599 ' CB ' ' ND2' ' H' ' 27' ' ' ASN . 3.5 t -92.86 171.83 8.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . 0.44 ' H ' ' HG ' ' I' ' 26' ' ' SER . 22.0 p-10 -70.53 153.48 42.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' I' ' 30' ' ' ALA . 10.7 mmtp -75.72 -177.75 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.02 79.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' I' ' 28' ' ' LYS . . . -155.48 -145.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.3 145.5 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.29 148.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.444 ' O ' ' HA2' ' J' ' 33' ' ' GLY . . . -153.11 150.02 21.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' I' ' 33' ' ' GLY . 5.4 mp -153.91 153.53 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.39 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' H' ' 35' ' ' MET . 14.4 ptm -151.13 148.97 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.463 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.408 HG11 ' O ' ' I' ' 35' ' ' MET . 32.9 m -154.01 153.29 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.97 155.18 26.1 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 148.14 19.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.34 121.72 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.604 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.98 -71.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 65.17 179.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 51.72 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -43.16 156.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . 0.498 ' CD2' ' OD1' ' J' ' 7' ' ' ASP . 5.6 t-160 -158.39 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . 0.741 ' HA ' ' OG ' ' I' ' 8' ' ' SER . 9.6 m-20 -69.0 -151.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' J' ' 7' ' ' ASP . 20.6 m 36.66 83.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . 0.747 ' N ' ' HB2' ' I' ' 8' ' ' SER . . . -64.6 -71.38 0.87 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 1.239 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.4 OUTLIER 161.69 -161.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.836 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.874 ' CG ' ' H ' ' J' ' 12' ' ' VAL . 6.4 tp10 167.1 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.874 ' H ' ' CG ' ' J' ' 11' ' ' GLU . 62.7 t -37.86 -83.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 65.2 79.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.649 ' CD2' ' H ' ' J' ' 15' ' ' GLN . 9.6 t-160 -173.51 172.67 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.649 ' H ' ' CD2' ' J' ' 14' ' ' HIS . 13.9 mt-30 47.48 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 9.7 mptt 41.78 -137.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.463 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 3.1 mt -147.03 145.15 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 m -151.04 148.5 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.534 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 6.0 m-85 -156.33 154.83 31.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.388 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.7 OUTLIER 177.04 -176.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.477 . . . . 0.0 111.198 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.34 108.46 19.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.405 ' OE2' ' OE1' ' I' ' 22' ' ' GLU . 5.9 mm-40 -96.71 101.96 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.8 128.81 25.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.395 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.637 ' C ' ' H ' ' J' ' 26' ' ' SER . 4.8 m -61.89 -165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.444 ' N ' HG13 ' I' ' 24' ' ' VAL . . . -61.69 9.86 0.1 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.637 ' H ' ' C ' ' J' ' 24' ' ' VAL . 53.0 m -82.75 88.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.7 0.286 . . . . 0.0 110.581 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -118.14 163.63 16.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -114.34 135.98 53.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.465 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.6 93.74 1.49 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' I' ' 30' ' ' ALA . . . -168.73 -109.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.549 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 12.4 pt -146.14 144.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.194 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mp -146.45 145.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.383 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.92 149.22 20.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -151.59 150.76 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.63 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -156.1 155.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.69 155.39 26.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.46 152.63 24.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.43 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 17.7 m -114.81 162.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.521 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' J' ' 39' ' ' VAL . 13.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.658 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.3 68.05 1.86 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -157.85 157.3 32.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.78 150.98 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.354 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -124.96 155.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -177.81 141.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.687 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -173.01 -159.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.687 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 26.5 mt-30 -124.98 -162.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 24.1 mtpp 40.23 -103.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.3 143.53 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -151.31 148.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.612 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' HB2' ' CD2' ' B' ' 19' ' ' PHE . 1.5 p90 -155.96 154.73 31.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.612 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 49.7 m-85 -157.44 157.22 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.64 114.39 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.439 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -160.96 166.15 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 2.5 p30 -131.38 161.32 32.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.484 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -34.84 156.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 24' ' ' VAL . . . 48.2 -157.38 0.93 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -94.37 -169.78 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.472 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -78.26 113.87 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' ALA . 62.6 mttp -92.42 -156.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.82 68.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . -156.13 -177.91 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -146.93 144.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.133 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 HG23 ' H ' ' B' ' 32' ' ' ILE . 27.6 pt -149.25 148.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.721 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.32 15.74 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' H ' HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -149.56 148.14 29.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.776 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ttp -146.54 144.0 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.239 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 m -148.43 147.54 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.19 152.18 23.79 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -112.18 133.02 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.539 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . 0.476 ' N ' ' OG ' ' B' ' 26' ' ' SER . 30.5 t0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.74 175.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 64.18 46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.59 34.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -81.74 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -61.16 142.88 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' B' ' 6' ' ' HIS . 34.9 m-20 55.56 160.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.9 m -167.03 125.67 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.542 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.99 148.74 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' B' ' 10' ' ' TYR . 28.6 p90 -151.41 149.82 29.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 110.796 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.94 148.92 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.554 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.59 136.21 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' B' ' 13' ' ' HIS . 3.7 p80 -150.78 100.43 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' B' ' 15' ' ' GLN . 16.7 p80 -104.02 -142.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.563 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.639 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 30.1 tt0 -146.99 -90.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.602 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 mptp? -49.71 -86.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.73 144.91 29.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -153.76 151.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -157.88 156.45 31.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.612 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 176.17 -175.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.213 0.53 . . . . 0.0 111.456 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 119.9 17.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.029 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' B' ' 20' ' ' PHE . 5.6 mp0 -98.67 140.06 33.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.161 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.725 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 29.2 t0 -152.46 118.01 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.166 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.31 -169.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.33 -89.96 1.63 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 1' ' ' ASP . 16.8 m -154.09 105.63 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.559 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -78.24 127.77 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -101.13 -175.28 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.05 97.48 0.44 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.464 ' H ' ' HB2' ' A' ' 30' ' ' ALA . . . -148.73 -170.82 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.455 HD13 HG23 ' B' ' 31' ' ' ILE . 58.7 mt -144.64 143.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.129 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.445 ' H ' HG23 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -145.82 143.67 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.46 149.76 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.643 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 0.9 OUTLIER -158.28 156.12 30.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' B' ' 35' ' ' MET . 4.1 ppp? -152.0 150.62 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.448 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.557 HG11 ' H ' ' C' ' 36' ' ' VAL . 25.1 m -152.35 152.03 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.6 151.67 23.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 148.52 19.82 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 87.2 t -125.46 150.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.564 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' C' ' 3' ' ' GLU . . . -81.2 154.53 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' C' ' 2' ' ' ALA . 20.5 mt-10 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.71 0.29 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.412 ' H ' HG11 ' D' ' 18' ' ' VAL . 0.4 OUTLIER -150.2 149.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.561 ' C ' ' CD2' ' C' ' 19' ' ' PHE . 2.1 t80 -152.43 149.52 28.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.588 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 173.71 -172.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.473 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.0 113.38 16.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.214 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.438 ' OE1' ' OE2' ' D' ' 22' ' ' GLU . 1.1 mp0 -87.33 110.54 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -129.71 111.51 12.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.363 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.64 176.93 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.5 -87.16 1.24 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.7 m -157.57 121.08 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' C' ' 28' ' ' LYS . 10.3 t-20 -80.67 174.32 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.491 ' N ' ' OD1' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -129.05 164.35 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 91.67 0.61 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' D' ' 30' ' ' ALA . . . -150.76 -151.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.658 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.407 ' H ' ' HB2' ' C' ' 30' ' ' ALA . 9.4 mt -145.56 145.04 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -147.49 145.85 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -149.9 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.6 OUTLIER -155.23 153.26 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' C' ' 35' ' ' MET . 4.2 ppp? -151.78 150.74 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.406 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.557 ' H ' HG11 ' B' ' 36' ' ' VAL . 32.8 m -152.12 151.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.625 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 150.11 21.9 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 148.09 19.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.37 157.89 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.544 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.804 0.335 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.412 HG11 ' H ' ' C' ' 18' ' ' VAL . 14.9 m -152.35 150.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 26.5 t80 -153.31 150.9 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.199 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.59 ' N ' ' CD2' ' D' ' 19' ' ' PHE . 13.8 p90 175.37 -174.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.184 0.516 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.17 121.78 24.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.372 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' D' ' 20' ' ' PHE . 33.8 mm-40 -98.39 119.94 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.735 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.488 ' CG ' ' ND2' ' D' ' 27' ' ' ASN . 34.8 t0 -137.94 117.46 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.396 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.485 ' O ' ' CA ' ' E' ' 25' ' ' GLY . 1.5 t -138.1 172.09 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.654 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.423 ' H ' HG11 ' D' ' 24' ' ' VAL . . . 94.87 -97.16 2.11 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.489 ' H ' ' HA3' ' E' ' 25' ' ' GLY . 62.5 p -145.0 103.74 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.317 . . . . 0.0 110.575 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' CG ' ' D' ' 23' ' ' ASP . 1.7 m120 -81.49 171.07 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.47 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -104.16 160.88 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.64 100.76 2.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -156.23 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.82 144.06 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.137 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.59 147.79 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -150.91 149.46 21.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mp -149.27 147.4 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.551 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' E' ' 35' ' ' MET . 8.4 ptm -149.73 147.42 28.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.406 ' H ' HG13 ' C' ' 36' ' ' VAL . 33.8 m -154.32 153.33 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.694 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.72 152.71 24.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.88 148.04 18.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -126.53 136.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.557 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.63 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.458 ' CG2' ' CE2' ' E' ' 20' ' ' PHE . 2.6 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 2.6 m-85 -157.25 155.47 30.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.79 -170.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.95 107.32 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.5 mp0 -104.75 102.05 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -120.33 145.1 47.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' E' ' 26' ' ' SER . 2.7 p -65.32 161.61 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . -42.3 -18.02 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' E' ' 24' ' ' VAL . 1.4 p -79.01 104.97 10.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.01 -176.1 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.544 ' HD2' ' H ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -101.98 139.61 37.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.78 101.59 2.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.592 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -173.49 -111.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.587 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 21.0 tt -145.75 145.02 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.137 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -148.55 147.15 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.445 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.75 148.11 19.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -149.08 147.19 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.453 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -151.83 148.98 28.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 m -155.73 155.22 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.1 153.39 24.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.98 151.52 23.31 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.21 133.55 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.649 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 11.7 t80 -63.0 -70.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.67 0.272 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.593 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 17.2 pt-20 -151.68 149.21 28.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' G' ' 11' ' ' GLU . 0.4 OUTLIER -103.18 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . 0.402 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -132.74 158.78 41.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.646 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.615 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 13.4 t-80 -154.92 -132.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.615 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.7 pt20 -172.25 164.66 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 mttt 57.0 -115.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.717 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.0 pp -149.89 146.52 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.802 ' CG2' ' H ' ' F' ' 19' ' ' PHE . 8.1 p 165.39 -163.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.028 0.442 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.802 ' H ' ' CG2' ' F' ' 18' ' ' VAL . 0.0 OUTLIER -147.94 148.87 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.05 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.736 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 18.0 m-85 -149.32 147.67 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.27 122.51 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.464 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' G' ' 23' ' ' ASP . 31.2 mp0 -88.94 112.8 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.584 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 12.3 t70 -152.66 99.08 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.752 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.634 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 0.6 OUTLIER -49.32 135.58 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.515 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.69 -161.79 23.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 2.5 t -95.02 176.43 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.498 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' F' ' 26' ' ' SER . 57.0 t-20 -71.17 112.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -88.32 -165.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' G' ' 28' ' ' LYS . . . -62.54 95.96 0.14 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.22 179.54 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.406 ' O ' HG13 ' G' ' 32' ' ' ILE . 5.6 mt -147.63 147.72 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 1.2 pt -141.07 140.39 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.923 ' H ' ' HA2' ' G' ' 33' ' ' GLY . . . -64.54 -72.73 0.66 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.885 ' HB2' ' O ' ' F' ' 33' ' ' GLY . 2.7 tp 153.79 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.37 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.606 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -164.12 162.22 22.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.684 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.55 148.17 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.192 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.829 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -63.58 -70.77 0.97 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . 0.978 ' HA3' ' H ' ' G' ' 38' ' ' GLY . . . 157.85 -156.12 27.05 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.59 149.18 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.556 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.422 ' OXT' ' O ' ' G' ' 40' ' ' VAL . 6.4 t . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . 0.4 ' H3 ' ' H ' ' G' ' 2' ' ' ALA . 1.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . 0.4 ' H ' ' H3 ' ' G' ' 1' ' ' ASP . . . 55.3 -171.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . 0.527 ' CG ' ' H1 ' ' H' ' 1' ' ' ASP . 41.5 mt-10 -81.67 -11.32 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' G' ' 6' ' ' HIS . 47.8 t80 51.77 175.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' G' ' 4' ' ' PHE . 64.0 mtp180 -74.39 18.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' G' ' 4' ' ' PHE . 5.6 t60 -76.86 124.91 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -84.22 76.06 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' H' ' 8' ' ' SER . 3.3 m -55.31 -177.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' F' ' 9' ' ' GLY . . . -151.28 150.65 22.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -148.09 144.02 27.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 0.876 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 33.4 mt-10 -142.51 143.2 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.723 ' N ' ' HB2' ' H' ' 11' ' ' GLU . 4.7 t -109.88 135.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' H' ' 14' ' ' HIS . 0.6 OUTLIER -175.46 95.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.569 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' F' ' 12' ' ' VAL . 4.8 m-70 -111.07 -139.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.671 ' O ' ' C ' ' G' ' 16' ' ' LYS . 31.0 mt-30 -132.26 -143.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . 0.671 ' C ' ' O ' ' G' ' 15' ' ' GLN . 7.1 mttp -6.87 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.57 ' CD2' ' C ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -145.8 142.86 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.133 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -147.15 146.38 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.493 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -155.99 153.61 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.989 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 4.1 p90 171.8 -170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.469 . . . . 0.0 111.333 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 147.22 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.552 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.649 ' O ' ' O ' ' H' ' 23' ' ' ASP . 18.7 mp0 -112.39 124.1 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 21.0 t0 -157.07 99.02 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.348 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.473 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 15.5 m -90.51 -168.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.658 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.634 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 72.02 -106.9 2.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.3 t -151.0 135.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.58 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 26.4 t-20 -83.44 149.5 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -105.41 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 100.26 0.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 -162.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 110.76 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.458 ' C ' ' CG1' ' G' ' 32' ' ' ILE . 23.6 mt -143.7 143.25 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.95 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' F' ' 32' ' ' ILE . 1.7 mt -153.24 152.9 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.982 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.923 ' HA2' ' H ' ' F' ' 33' ' ' GLY . . . -144.22 143.02 11.6 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.773 ' O ' ' O ' ' F' ' 34' ' ' LEU . 4.7 mp -148.12 145.92 28.58 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.479 ' HA ' ' HA ' ' F' ' 35' ' ' MET . 10.5 ptp -150.44 146.87 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.218 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' F' ' 36' ' ' VAL . 11.1 m -145.68 146.89 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.508 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.829 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -152.26 149.02 20.63 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . 0.978 ' H ' ' HA3' ' F' ' 38' ' ' GLY . . . -153.61 153.45 24.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 85.6 t -86.28 123.82 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.422 ' O ' ' OXT' ' F' ' 40' ' ' VAL . 6.3 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . 0.527 ' H1 ' ' CG ' ' G' ' 3' ' ' GLU . 10.2 t70 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.4 136.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -172.89 133.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.523 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -177.93 37.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' H' ' 6' ' ' HIS . 42.0 ttt-85 -102.46 -137.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . 0.427 ' H ' ' HG2' ' H' ' 5' ' ' ARG . 4.9 m80 -108.58 -173.68 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.68 -153.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' G' ' 8' ' ' SER . 8.6 t 61.7 141.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' I' ' 9' ' ' GLY . . . -145.08 143.54 12.01 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.89 ' H ' ' HA ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -58.26 -72.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.708 -0.289 . . . . 0.0 110.761 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . 0.876 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.1 pt-20 157.69 -155.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.957 ' HB ' ' H ' ' I' ' 13' ' ' HIS . 2.0 t 61.21 93.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' H' ' 14' ' ' HIS . 3.1 m-70 -120.25 -54.1 2.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' H' ' 13' ' ' HIS . 64.8 m-70 -161.22 136.04 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . 0.524 ' C ' ' NE2' ' H' ' 15' ' ' GLN . 0.0 OUTLIER 172.16 156.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.544 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . 0.542 ' O ' ' HB3' ' I' ' 16' ' ' LYS . 51.3 mmtt -38.42 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' H' ' 17' ' ' LEU . 1.0 OUTLIER -143.99 142.6 30.79 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 2.5 p -150.59 149.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.694 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.597 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.0 OUTLIER -156.5 153.62 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.578 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.989 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 161.67 -160.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . 0.424 ' H ' ' HB2' ' H' ' 20' ' ' PHE . . . -109.37 107.22 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.232 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.612 ' C ' ' OH ' ' H' ' 10' ' ' TYR . 2.0 mt-10 -81.01 105.71 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.649 ' O ' ' O ' ' G' ' 22' ' ' GLU . 9.4 t70 -138.42 106.62 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.549 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 9.8 p -115.03 177.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.549 ' H ' ' CG2' ' H' ' 24' ' ' VAL . . . 83.52 -72.22 2.87 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 26' ' ' SER . . . . . 0.467 ' HG ' ' C ' ' H' ' 25' ' ' GLY . 50.4 m -153.11 167.14 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.691 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' G' ' 23' ' ' ASP . 0.9 OUTLIER -127.78 -177.27 4.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.0 165.97 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.48 94.24 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' I' ' 30' ' ' ALA . . . -153.39 -121.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.631 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -145.54 144.29 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.18 148.93 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.409 . . . . 0.0 110.648 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . 0.584 ' O ' ' HG ' ' H' ' 34' ' ' LEU . . . -149.48 146.8 16.48 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' H' ' 33' ' ' GLY . 1.5 mp -151.46 151.21 31.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.984 0.421 . . . . 0.0 110.713 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.554 ' SD ' ' N ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.29 147.74 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.356 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -151.3 150.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . -154.0 152.11 23.74 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.01 150.4 22.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -111.77 126.02 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.603 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.92 -101.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 47.13 -162.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 t80 56.38 78.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -164.94 -72.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . 0.725 ' CG ' ' H ' ' I' ' 7' ' ' ASP . 46.9 t60 -155.85 -166.95 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . 0.725 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 14.0 m-20 -58.11 109.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.489 ' HB3' ' N ' ' J' ' 9' ' ' GLY . 0.2 OUTLIER -60.75 -4.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . 64.45 69.0 1.45 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' J' ' 10' ' ' TYR . 15.4 m-85 -141.52 141.66 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . 0.802 ' O ' ' O ' ' H' ' 11' ' ' GLU . 23.9 tt0 -148.13 144.01 27.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.087 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . 0.968 HG22 ' H ' ' J' ' 12' ' ' VAL . 1.4 m -138.6 123.1 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.529 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . 0.957 ' H ' ' HB ' ' H' ' 12' ' ' VAL . 0.0 OUTLIER 172.95 120.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.428 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 1.004 ' HE2' ' N ' ' I' ' 17' ' ' LEU . 0.0 OUTLIER -106.95 -130.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.904 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 72.7 tp60 -122.97 -96.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' H' ' 16' ' ' LYS . 20.6 tttp -32.47 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 1.004 ' N ' ' HE2' ' I' ' 14' ' ' HIS . 2.3 pp -144.87 143.36 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.181 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.823 ' O ' ' CG2' ' J' ' 18' ' ' VAL . 2.3 p -147.6 145.2 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 9.7 t80 -150.06 147.49 27.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.653 ' N ' ' CD2' ' I' ' 19' ' ' PHE . 0.1 OUTLIER 173.5 -171.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 111.397 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 115.08 18.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.263 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' I' ' 22' ' ' GLU . 3.2 mp0 -87.99 108.27 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.11 111.75 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' I' ' 25' ' ' GLY . 1.4 p -145.06 162.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' I' ' 24' ' ' VAL . . . 117.04 -82.37 0.32 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -145.31 98.51 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.03 -174.5 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.44 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -138.95 167.92 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.58 99.59 2.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . -152.42 -131.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -145.65 145.27 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.22 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.31 145.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -150.88 149.12 20.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 2.6 mp -149.49 148.5 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -146.32 144.84 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.439 HG12 ' CD2' ' H' ' 19' ' ' PHE . 0.3 OUTLIER -152.92 151.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.374 . . . . 0.0 110.632 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 152.59 24.16 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.91 16.97 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.28 138.65 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.563 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' J' ' 3' ' ' GLU . . . -83.99 -98.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' J' ' 2' ' ' ALA . 47.9 tt0 59.95 121.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -165.64 -72.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -171.02 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -54.56 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' J' ' 8' ' ' SER . 1.0 OUTLIER 62.36 123.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.601 ' O ' ' O ' ' J' ' 7' ' ' ASP . 2.6 p 53.78 137.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . 0.489 ' N ' ' HB3' ' I' ' 8' ' ' SER . . . -60.51 -68.73 1.54 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' I' ' 10' ' ' TYR . 2.6 m-85 -156.29 155.79 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.696 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -153.48 150.57 28.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.968 ' H ' HG22 ' I' ' 12' ' ' VAL . 34.9 t 64.27 104.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.682 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 7.8 t-80 -81.82 -120.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.535 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 61.6 m80 -162.48 70.16 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -176.24 57.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER -175.97 -167.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.855 ' O ' ' HB ' ' J' ' 18' ' ' VAL . 17.9 tp -145.89 144.41 30.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.896 ' CG2' ' H ' ' J' ' 19' ' ' PHE . 11.6 p 148.94 -146.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.896 ' H ' ' CG2' ' J' ' 18' ' ' VAL . 5.0 m-85 -156.29 153.68 29.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' J' ' 20' ' ' PHE . 0.0 OUTLIER -157.87 158.32 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.654 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.18 144.94 43.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -103.43 164.33 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -103.65 -111.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' J' ' 25' ' ' GLY . 14.3 p -175.72 170.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . 0.48 ' N ' ' CG2' ' J' ' 24' ' ' VAL . . . -58.5 -52.67 51.51 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -120.31 103.85 9.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.598 ' N ' ' ND2' ' J' ' 27' ' ' ASN . 0.1 OUTLIER -79.37 170.88 15.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.626 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.05 147.15 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.72 2.78 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -161.83 -115.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.71 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -147.47 146.94 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.279 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.71 146.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.69 150.05 21.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.55 150.06 30.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.72 145.26 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.221 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.406 HG22 ' CD2' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -151.82 151.46 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.776 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.02 149.68 21.43 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.16 148.61 20.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.55 156.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.66 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.54 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 18.6 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.76 158.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -77.26 -177.57 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.542 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -47.86 95.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.64 HH22 ' H2 ' ' B' ' 1' ' ' ASP . 9.9 ptm180 -95.22 127.74 41.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -150.4 -19.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.473 ' OD1' ' OE1' ' B' ' 11' ' ' GLU . 2.8 m-20 -77.21 -111.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.195 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER -38.78 138.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.505 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.683 ' HA2' ' HA3' ' B' ' 9' ' ' GLY . . . 62.95 68.35 1.7 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.693 ' H ' ' H ' ' B' ' 10' ' ' TYR . 0.4 OUTLIER 152.15 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' B' ' 11' ' ' GLU . 4.7 tt0 -147.43 144.93 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.101 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.654 ' HB ' ' H ' ' B' ' 12' ' ' VAL . 54.3 t -109.89 122.7 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -166.28 -174.52 2.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.724 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.461 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 2.0 t60 -168.42 -125.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.703 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 mt-30 -141.81 145.19 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.708 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.659 ' C ' ' HE2' ' B' ' 14' ' ' HIS . 68.2 mmtt 54.83 -76.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -148.48 146.92 28.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.194 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 19' ' ' PHE . 3.1 p -159.07 158.28 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.426 . . . . 0.0 110.99 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.727 ' CE1' HG13 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -152.95 152.45 31.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.429 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -151.71 148.35 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.474 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.43 108.43 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 22' ' ' GLU . 15.8 pt-20 174.84 167.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -80.24 125.62 30.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 117.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.69 -78.24 0.3 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 p -143.46 118.93 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.41 101.81 4.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -102.82 -161.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 76.71 0.02 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . -153.97 175.32 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.386 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -145.78 143.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.244 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.83 146.69 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.47 151.21 23.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 1.4 pt? -154.09 151.29 29.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ttt -150.85 149.59 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 19' ' ' PHE . 35.7 m -150.38 149.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.739 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 148.86 20.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.2 22.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 m -132.95 165.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.502 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.64 ' H2 ' HH22 ' A' ' 5' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 3' ' ' GLU . . . -169.67 88.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' B' ' 2' ' ' ALA . 64.0 mt-10 57.22 125.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -163.89 73.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -170.91 144.71 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -58.6 165.33 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' B' ' 9' ' ' GLY . 22.0 t70 48.01 29.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.8 t 48.42 -85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.683 ' HA3' ' HA2' ' A' ' 9' ' ' GLY . . . 155.43 -152.32 23.82 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.893 ' HA ' ' HA ' ' C' ' 10' ' ' TYR . 0.1 OUTLIER -165.0 165.13 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.582 ' O ' ' CB ' ' B' ' 12' ' ' VAL . 2.1 pt-20 -153.23 152.25 30.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.718 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.973 ' O ' ' HA ' ' C' ' 12' ' ' VAL . 3.3 t 89.76 120.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.519 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.746 ' ND1' ' N ' ' B' ' 14' ' ' HIS . 0.0 OUTLIER 165.2 145.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.366 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.947 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 0.7 OUTLIER -173.62 -149.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.723 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.947 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 14.7 mm100 -130.43 -101.84 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' B' ' 15' ' ' GLN . 17.6 tttt -33.97 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.07 143.35 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.031 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' B' ' 20' ' ' PHE . 6.6 p -150.44 149.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.8 t80 -145.08 143.16 30.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.114 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' B' ' 19' ' ' PHE . 27.7 m-85 -146.61 144.83 29.81 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.94 106.69 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.535 ' H ' ' HB3' ' C' ' 22' ' ' GLU . 2.1 pt-20 174.88 142.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD2' ' O ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -68.36 140.93 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.472 HG12 ' N ' ' B' ' 25' ' ' GLY . 0.4 OUTLIER -82.94 179.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.676 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.472 ' N ' HG12 ' B' ' 24' ' ' VAL . . . 62.87 -95.59 0.13 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.523 ' O ' ' OD2' ' B' ' 23' ' ' ASP . 8.7 t -132.33 179.21 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.672 0.272 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 28' ' ' LYS . 14.1 t-20 -138.55 163.94 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.544 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 1.6 mmmm -128.43 -159.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 92.88 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.491 ' H ' ' HB1' ' A' ' 30' ' ' ALA . . . -157.16 -172.32 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.491 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.423 HG22 HD13 ' B' ' 31' ' ' ILE . 39.3 mt -144.74 143.58 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.254 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' B' ' 31' ' ' ILE . 4.7 mp -146.71 144.7 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.2 149.85 21.71 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -153.34 150.47 28.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.549 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 8.6 ttt -147.48 146.29 29.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.626 ' H ' HG11 ' A' ' 36' ' ' VAL . 28.2 m -153.77 152.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.82 152.06 23.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.61 147.0 17.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -124.34 126.86 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.546 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' C' ' 2' ' ' ALA . 13.4 t0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 1' ' ' ASP . . . -51.71 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -70.9 68.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -77.63 79.74 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 46.96 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' C' ' 6' ' ' HIS . 48.0 t-80 -163.89 38.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' C' ' 8' ' ' SER . 27.1 t0 64.57 162.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 63.5 p -175.84 113.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' B' ' 9' ' ' GLY . . . -148.12 146.9 17.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.893 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 1.0 OUTLIER -143.48 142.84 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.399 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 1.139 ' CA ' ' HB3' ' D' ' 11' ' ' GLU . 1.6 pt-20 -141.67 140.98 33.35 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.916 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 1.072 ' H ' ' HB2' ' D' ' 11' ' ' GLU . 0.8 OUTLIER -118.31 130.28 73.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.936 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 0.647 ' H ' ' HB2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -128.84 114.62 16.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.479 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.808 ' HE2' HE22 ' E' ' 15' ' ' GLN . 0.5 OUTLIER -118.27 -150.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.66 ' N ' ' CG ' ' C' ' 14' ' ' HIS . 53.4 tt0 -147.81 -77.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.614 ' O ' ' HG2' ' D' ' 16' ' ' LYS . 23.9 tttp -72.03 -70.27 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.11 145.85 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.365 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.42 ' CG1' ' CG ' ' C' ' 14' ' ' HIS . 2.5 p -146.89 145.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.581 ' CD2' ' N ' ' C' ' 20' ' ' PHE . 3.4 t80 -150.75 147.3 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.119 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CE2' ' CD2' ' D' ' 20' ' ' PHE . 36.9 p90 -174.02 174.62 2.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 111.429 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.15 138.63 1.68 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.535 ' HB3' ' H ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER 174.25 160.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.941 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' D' ' 26' ' ' SER . 34.3 t70 -91.66 135.37 33.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.124 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.506 ' O ' ' CA ' ' D' ' 25' ' ' GLY . 0.6 OUTLIER -91.99 78.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.779 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 24' ' ' VAL . . . 173.29 -102.61 0.18 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.426 ' HG ' ' HZ3' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -134.98 128.6 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.491 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.45 101.64 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.47 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 30' ' ' ALA . 28.6 mtpt -78.56 -176.64 4.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.27 88.52 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.721 ' HB1' ' O ' ' D' ' 28' ' ' LYS . . . -161.65 -175.72 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.515 ' H ' ' HA ' ' D' ' 30' ' ' ALA . 7.4 tt -143.31 144.3 23.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.718 ' HB ' ' O ' ' D' ' 32' ' ' ILE . 0.1 OUTLIER -147.77 142.74 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.637 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -154.27 153.41 24.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 4.6 mp -154.2 151.94 29.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' B' ' 35' ' ' MET . 7.8 ttt -145.1 145.31 31.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.787 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 1.026 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -148.87 146.51 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.599 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.27 148.94 20.7 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . 0.687 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -148.54 147.23 17.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.0 147.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.518 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.613 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.03 80.29 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -142.75 -42.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -56.52 107.78 0.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 55.28 51.29 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.517 ' CG ' ' H ' ' D' ' 7' ' ' ASP . 0.9 OUTLIER -90.5 -152.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.607 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . 0.517 ' H ' ' CG ' ' D' ' 6' ' ' HIS . 0.8 OUTLIER -106.7 154.71 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.3 OUTLIER -124.74 -84.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.534 ' HA3' ' H ' ' C' ' 10' ' ' TYR . . . 158.61 -158.32 29.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.838 ' CB ' ' O ' ' E' ' 9' ' ' GLY . 0.9 OUTLIER -157.3 155.67 31.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.385 179.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 1.139 ' HB3' ' CA ' ' C' ' 11' ' ' GLU . 0.0 OUTLIER 160.73 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.767 ' O ' ' CG ' ' D' ' 13' ' ' HIS . 73.6 t 76.53 129.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.291 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.922 ' HB2' ' H ' ' E' ' 13' ' ' HIS . 9.0 m80 137.83 172.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.891 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.689 ' CD2' ' N ' ' D' ' 15' ' ' GLN . 65.6 t60 159.3 -100.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.434 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.689 ' N ' ' CD2' ' D' ' 14' ' ' HIS . 40.8 tt0 -176.42 34.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.706 ' H ' HE21 ' E' ' 15' ' ' GLN . 18.2 tptp -147.54 -104.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.7 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.455 ' H ' ' HB3' ' D' ' 16' ' ' LYS . 1.2 mt -148.4 145.58 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.745 0.307 . . . . 0.0 110.603 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.42 HG12 ' NE2' ' C' ' 14' ' ' HIS . 3.7 m -146.31 146.04 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.62 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 2.6 t80 -152.89 148.6 27.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CE2' ' C' ' 20' ' ' PHE . 0.2 OUTLIER 165.96 -164.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 111.126 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.07 122.51 9.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.263 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -122.15 128.98 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' E' ' 23' ' ' ASP . 0.0 OUTLIER -128.9 142.54 50.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.173 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.702 ' O ' ' N ' ' D' ' 26' ' ' SER . 6.3 p -50.15 164.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.685 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' D' ' 24' ' ' VAL . . . -52.83 71.45 0.0 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.702 ' N ' ' O ' ' D' ' 24' ' ' VAL . 14.4 p -145.64 85.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.433 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.42 104.68 16.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.721 ' O ' ' HB1' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -98.17 -166.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.648 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -43.47 -174.23 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -31.56 113.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.224 . . . . 0.0 110.574 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.881 HG22 ' O ' ' E' ' 30' ' ' ALA . 1.5 pp -154.43 154.3 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.096 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.718 ' O ' ' HB ' ' C' ' 32' ' ' ILE . 84.0 mt 66.14 72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.831 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.724 ' O ' ' HB3' ' D' ' 34' ' ' LEU . . . -145.91 141.47 9.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 1.229 ' HB2' ' O ' ' E' ' 34' ' ' LEU . 1.0 OUTLIER 161.32 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.139 0.495 . . . . 0.0 111.228 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' I' ' 36' ' ' VAL . 2.0 ptm -158.58 157.78 32.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.483 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 1.026 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -152.87 153.19 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.533 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -154.54 152.56 24.11 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.687 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -152.88 150.9 22.76 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -122.01 153.41 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.64 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 71.42 2.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -173.16 -8.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' E' ' 5' ' ' ARG . 36.0 t80 -115.8 -86.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . 0.451 ' CG ' ' H ' ' E' ' 6' ' ' HIS . 24.2 ttt180 46.25 -137.29 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . 0.712 ' CG ' ' H ' ' E' ' 7' ' ' ASP . 9.8 t-80 -87.83 -165.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.509 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . 0.712 ' H ' ' CG ' ' E' ' 6' ' ' HIS . 5.1 m-20 -76.85 99.58 5.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.533 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 67.2 m -53.15 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.592 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 0.838 ' O ' ' CB ' ' D' ' 10' ' ' TYR . . . -164.04 163.62 36.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.747 ' O ' ' CD ' ' C' ' 11' ' ' GLU . 4.5 p90 -157.85 154.5 28.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 110.763 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 1.014 ' HB2' ' HB2' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -155.82 154.34 31.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.875 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.644 ' O ' ' CB ' ' E' ' 13' ' ' HIS . 0.0 OUTLIER 32.41 -91.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.112 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.922 ' H ' ' HB2' ' D' ' 13' ' ' HIS . 4.7 t-80 93.91 113.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.367 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.819 ' H ' ' CG ' ' D' ' 13' ' ' HIS . 1.9 t-80 82.15 131.05 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.531 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.808 HE22 ' HE2' ' C' ' 14' ' ' HIS . 34.1 tt0 -155.33 178.7 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.65 ' H ' ' CG ' ' E' ' 15' ' ' GLN . 33.8 ttpt -75.54 -52.23 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -146.83 144.37 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.178 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 m -151.01 149.97 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.813 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' E' ' 20' ' ' PHE . 47.5 m-85 -152.78 149.44 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' E' ' 19' ' ' PHE . 1.1 p90 161.71 -160.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.415 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' E' ' 20' ' ' PHE . . . -131.29 104.29 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.133 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -80.11 118.69 22.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 1.2 m-20 -135.11 114.26 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' E' ' 26' ' ' SER . 30.3 m -128.37 173.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 -74.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.426 ' N ' ' O ' ' E' ' 24' ' ' VAL . 25.1 p -135.83 167.06 21.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.543 ' CG ' ' H ' ' E' ' 28' ' ' LYS . 5.8 t-20 -150.7 -174.29 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.543 ' H ' ' CG ' ' E' ' 27' ' ' ASN . 35.3 mttt -90.57 173.05 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' E' ' 30' ' ' ALA . . . -127.47 118.07 2.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 160.87 -105.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.93 ' HA ' ' O ' ' D' ' 30' ' ' ALA . 14.1 tt -143.5 141.61 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.854 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -146.0 145.08 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' E' ' 34' ' ' LEU . . . 162.75 -160.82 33.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 1.229 ' O ' ' HB2' ' D' ' 34' ' ' LEU . 1.1 pp 159.15 -159.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.668 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -147.03 145.16 29.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.302 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.57 ' H ' HG13 ' D' ' 36' ' ' VAL . 0.2 OUTLIER -153.74 153.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.818 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -152.73 150.77 22.61 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.52 147.77 18.44 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 40' ' ' VAL . 3.0 m -107.01 158.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 39' ' ' VAL . 84.5 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.541 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.77 -74.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.47 -55.55 23.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -154.9 -62.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.487 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -142.2 -170.97 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.537 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -66.98 -112.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.48 144.16 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.176 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 45.5 t -150.48 -178.07 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . 0.504 ' HA2' ' HA2' ' G' ' 9' ' ' GLY . . . -146.52 144.68 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' G' ' 10' ' ' TYR . 12.0 t80 -147.77 147.39 29.83 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 14.3 pt-20 -152.13 148.34 27.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.145 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.834 ' HB ' ' H ' ' G' ' 12' ' ' VAL . 69.7 t -111.4 136.34 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' F' ' 13' ' ' HIS . 0.1 OUTLIER -178.34 155.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.633 ' N ' ' NE2' ' G' ' 15' ' ' GLN . 27.8 t60 -173.52 -137.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.606 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 8.0 pt20 -136.73 179.46 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.642 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.5 mttm 40.24 -101.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 144.22 29.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.22 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -147.88 146.78 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.518 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' CG1' ' F' ' 36' ' ' VAL . 0.1 OUTLIER -153.89 150.88 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.98 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 37.7 m-85 -159.35 158.65 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.55 99.76 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.304 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 179.62 179.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' G' ' 23' ' ' ASP . 20.8 p-10 -110.33 151.88 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -74.96 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 -78.49 1.59 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -153.27 164.02 38.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.673 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 9.1 t-20 -106.66 167.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.673 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 26.8 mmtp -128.48 -165.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.41 100.47 1.41 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.5 -163.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.673 0.273 . . . . 0.0 110.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -144.01 142.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 pt -152.61 150.32 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -149.14 148.51 19.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.2 146.58 28.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.4 ' O ' HG13 ' F' ' 36' ' ' VAL . 7.6 ttt -148.13 145.65 28.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.302 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.577 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 2.8 m -147.58 146.79 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.547 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.71 147.75 18.15 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.65 156.96 27.76 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.41 133.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.619 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.61 -79.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.17 -169.62 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -136.83 -179.36 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -74.02 -178.75 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 53.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.57 133.66 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.4 OUTLIER -85.64 -25.21 26.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . 159.35 -156.35 27.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.6 OUTLIER -166.45 166.77 16.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' H' ' 11' ' ' GLU . 1.9 pt-20 -150.92 149.62 29.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.882 ' HB ' ' HA ' ' H' ' 12' ' ' VAL . 1.4 t 72.91 113.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.58 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.602 ' CE1' ' ND1' ' G' ' 14' ' ' HIS . 36.3 t-80 -134.13 -54.9 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.602 ' ND1' ' CE1' ' G' ' 13' ' ' HIS . 31.4 m80 -162.85 135.36 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' F' ' 14' ' ' HIS . 5.4 tt0 169.66 162.17 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.552 ' N ' ' CG ' ' G' ' 15' ' ' GLN . 0.0 OUTLIER -47.67 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.91 144.1 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.056 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.62 ' CG2' ' HE2' ' H' ' 14' ' ' HIS . 30.4 t -152.28 151.37 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.567 ' CE2' ' CG1' ' G' ' 36' ' ' VAL . 0.7 OUTLIER -157.68 154.49 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.98 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.0 OUTLIER 165.65 -165.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.71 118.78 32.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.31 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.64 130.83 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' F' ' 23' ' ' ASP . 18.8 t70 -154.47 114.13 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.05 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.448 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 14.7 m -89.36 -170.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.813 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.1 -109.77 2.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -143.13 137.95 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 41.7 t-20 -72.46 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.416 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 0.8 OUTLIER -105.37 167.04 10.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.79 89.96 0.09 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.22 -156.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -146.15 145.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.175 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.31 145.68 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.438 ' C ' ' HG ' ' G' ' 34' ' ' LEU . . . -151.97 149.0 20.64 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.63 ' CD1' ' N ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.02 155.77 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.664 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -153.44 151.49 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' G' ' 19' ' ' PHE . 0.1 OUTLIER -148.83 148.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.04 146.78 16.57 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.35 147.89 18.71 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.98 137.22 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.548 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.94 177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' H' ' 4' ' ' PHE . 34.3 mt-10 42.85 51.63 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' H' ' 6' ' ' HIS . 15.2 t80 -47.82 178.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . 0.465 ' O ' ' ND1' ' H' ' 6' ' ' HIS . 74.3 mtt180 -40.55 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' H' ' 4' ' ' PHE . 59.0 m-70 -148.87 -159.32 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' H' ' 8' ' ' SER . 0.8 OUTLIER -138.19 -62.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.178 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 15.6 m 58.69 145.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -151.54 148.29 19.15 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' H' ' 9' ' ' GLY . 22.0 m-85 -152.41 150.59 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' G' ' 11' ' ' GLU . 64.1 tt0 -146.15 146.65 30.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.479 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.882 ' HA ' ' HB ' ' G' ' 12' ' ' VAL . 2.2 m -131.32 141.99 44.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.765 0.317 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.551 ' O ' ' C ' ' G' ' 13' ' ' HIS . 1.4 t-80 -167.06 132.37 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.62 ' HE2' ' CG2' ' G' ' 18' ' ' VAL . 0.1 OUTLIER -136.0 -168.01 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.611 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 38.2 tt0 -110.54 -95.72 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 22.4 tptt -41.1 -87.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.745 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -146.82 145.56 29.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' G' ' 18' ' ' VAL . 1.2 p -147.49 145.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -153.93 151.07 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.389 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.726 ' H ' ' HB3' ' I' ' 20' ' ' PHE . 0.4 OUTLIER 174.47 -173.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 111.396 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.34 99.57 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.147 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.45 ' OE1' ' OH ' ' I' ' 10' ' ' TYR . 63.5 mm-40 -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 18.3 t0 -141.12 121.92 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -92.3 179.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.448 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 90.43 -112.18 4.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -148.06 161.75 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.416 ' HB3' ' H ' ' G' ' 28' ' ' LYS . 9.6 t30 -80.29 175.81 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -137.28 169.63 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 92.85 0.86 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.457 ' HB2' ' H ' ' H' ' 31' ' ' ILE . . . -156.99 -150.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.563 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.457 ' H ' ' HB2' ' H' ' 30' ' ' ALA . 8.6 mt -145.42 144.8 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.173 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.01 145.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' H' ' 34' ' ' LEU . . . -148.05 145.74 14.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' H' ' 33' ' ' GLY . 4.4 mp -147.98 146.93 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.7 mtt -147.29 145.03 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.49 HG22 ' CG ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -150.65 150.46 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.78 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.06 147.09 17.2 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.17 123.75 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -141.36 107.98 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' I' ' 6' ' ' HIS . 87.3 m-85 -79.25 171.45 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -60.57 74.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' I' ' 4' ' ' PHE . 15.4 m-70 -106.3 -169.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' I' ' 8' ' ' SER . 59.3 m-20 -80.51 -100.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 5.9 m 60.39 129.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.12 146.49 15.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.798 ' C ' ' O ' ' J' ' 10' ' ' TYR . 2.4 t80 -144.95 144.69 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' I' ' 10' ' ' TYR . 36.9 mt-10 -145.24 143.22 30.14 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.676 ' HB ' ' H ' ' J' ' 12' ' ' VAL . 1.1 t -115.67 149.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.308 . . . . 0.0 110.434 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.752 ' CD2' ' H ' ' I' ' 14' ' ' HIS . 8.8 t-160 -153.68 172.56 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.546 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.828 ' CD2' ' H ' ' I' ' 15' ' ' GLN . 53.8 t60 -177.25 -174.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.828 ' H ' ' CD2' ' I' ' 14' ' ' HIS . 3.4 tp-100 -119.48 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' J' ' 16' ' ' LYS . 4.9 tmtt? -79.95 -77.0 0.2 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.932 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.0 pp -147.81 145.32 28.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.609 ' CG2' ' CE1' ' I' ' 20' ' ' PHE . 2.9 p -148.18 146.87 17.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.453 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.842 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -154.91 151.87 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.726 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.19 -168.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.94 146.08 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' J' ' 23' ' ' ASP . 3.5 mm-40 -125.23 110.75 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.638 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.518 ' OD1' ' ND2' ' J' ' 27' ' ' ASN . 25.5 t70 -135.87 117.2 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.198 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 m -113.22 -175.95 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' H' ' 3' ' ' GLU . . . 89.34 -104.83 3.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -147.72 114.62 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' H' ' 23' ' ' ASP . 2.2 m-80 -75.12 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -106.05 170.12 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.28 102.96 1.99 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.426 ' H ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.4 -141.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.89 144.14 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -146.92 145.03 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.448 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -152.29 149.54 21.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 1.4 mp -153.63 152.77 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -149.17 148.06 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' D' ' 35' ' ' MET . 0.2 OUTLIER -149.57 147.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.345 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.32 152.34 23.99 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.24 147.64 18.23 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' I' ' 39' ' ' VAL . 5.3 p -123.87 127.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.312 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.5 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.83 121.51 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.43 -49.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' J' ' 4' ' ' PHE . 78.5 t80 -75.58 -1.06 22.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -73.38 -53.51 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . 0.539 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.4 p-80 -150.46 -175.82 5.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.64 114.15 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.7 OUTLIER -73.78 -2.56 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.54 -165.63 38.78 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.798 ' O ' ' C ' ' I' ' 10' ' ' TYR . 0.7 OUTLIER -163.93 163.97 23.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.958 0.409 . . . . 0.0 110.965 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.585 ' HA ' ' N ' ' I' ' 12' ' ' VAL . 1.1 pm0 -154.41 151.87 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.331 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.676 ' H ' ' HB ' ' I' ' 12' ' ' VAL . 0.4 OUTLIER 81.86 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 7.2 t-160 -149.0 42.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.9 t60 85.26 114.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.548 ' CD ' ' H ' ' J' ' 16' ' ' LYS . 0.2 OUTLIER -167.35 178.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' I' ' 16' ' ' LYS . 63.2 mmtt -128.72 140.18 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.932 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 4.1 mm? 61.26 70.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.14 145.51 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.842 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 13.5 t80 -153.24 151.67 30.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -171.25 170.85 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.026 0.441 . . . . 0.0 111.216 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.04 104.36 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -86.63 102.9 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.629 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' I' ' 22' ' ' GLU . 53.3 t0 -135.22 119.37 17.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.51 -174.1 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -93.55 1.78 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -137.13 117.35 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OD1' ' I' ' 23' ' ' ASP . 1.8 m120 -78.62 170.32 16.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -107.58 137.66 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.49 92.53 1.51 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.31 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.606 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -148.47 147.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.27 146.72 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.97 151.36 23.09 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -154.35 153.95 32.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.701 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.32 146.39 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' I' ' 36' ' ' VAL . 0.0 OUTLIER -154.11 153.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.565 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.09 156.16 26.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.67 149.97 21.8 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.24 135.68 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.567 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.195 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.176 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.178 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.53 132.29 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 5' ' ' ARG . 8.0 mt-10 -45.78 129.46 9.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -77.23 26.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 3' ' ' GLU . 72.2 mtp180 -80.13 159.07 26.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.678 ' CG ' ' H ' ' A' ' 7' ' ' ASP . 2.4 t60 -67.17 -121.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.678 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 38.3 t0 -66.05 95.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.63 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 6.8 t -48.85 110.79 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.88 153.05 24.56 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -149.43 148.08 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -152.48 150.57 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.1 154.9 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.574 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -177.05 126.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.709 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.7 t-80 -166.0 -150.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.709 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 mt-30 -134.24 -173.85 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 61.1 mttm 50.02 -103.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -146.81 145.07 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.258 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -148.96 147.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -152.88 151.28 30.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.798 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 30.9 m-85 -157.65 157.15 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.32 109.76 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.418 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.03 175.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.704 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 21.5 p-10 -108.23 142.87 37.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.42 107.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.534 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.74 -97.06 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -138.23 123.5 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' OD1' ' OD1' ' A' ' 23' ' ' ASP . 3.2 m-80 -88.51 131.67 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -93.97 -165.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 92.58 0.3 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.21 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.492 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -146.91 145.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -148.84 147.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.37 149.69 21.5 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.03 149.29 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 tpt -148.8 146.45 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.435 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 11.8 m -149.62 149.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.659 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 148.87 20.48 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.07 151.67 23.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 8.5 p -120.7 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.594 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.557 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.4 -143.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.57 124.33 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -165.16 95.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.466 ' O ' ' CD2' ' B' ' 6' ' ' HIS . 17.6 ttm180 -151.37 -42.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.574 ' N ' HH12 ' C' ' 5' ' ' ARG . 30.4 m80 -154.26 177.75 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.95 165.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.618 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 4.2 m -143.36 135.05 26.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -155.29 154.35 25.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 13.5 m-85 -149.22 147.63 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' HE2' ' B' ' 13' ' ' HIS . 10.6 pt-20 -149.26 147.52 28.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.72 ' CG2' ' HE2' ' C' ' 14' ' ' HIS . 31.3 m -113.75 140.71 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.408 ' HE2' ' HB2' ' B' ' 11' ' ' GLU . 72.2 m-70 -148.83 166.37 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.482 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.626 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 6.3 t-80 -174.05 -149.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.626 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 61.8 mt-30 -148.35 -32.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 6.1 mptp? -111.0 -85.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.43 144.87 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.231 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.518 HG23 ' CG ' ' B' ' 14' ' ' HIS . 71.8 t -151.59 150.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.59 156.73 28.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.798 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.06 -168.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 111.315 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 117.11 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.181 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -91.55 129.71 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 18.8 t70 -144.89 111.2 5.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.185 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -178.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.625 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 -96.41 2.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -157.4 116.23 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -74.75 158.81 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 175.56 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.26 95.56 0.3 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.403 ' HB3' ' H ' ' B' ' 31' ' ' ILE . . . -147.48 -160.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.427 HD11 HG21 ' B' ' 31' ' ' ILE . 77.0 mt -145.39 144.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.204 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -146.75 145.05 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.77 151.49 23.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 1.7 pt? -159.3 158.53 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 12.4 ttt -150.94 149.06 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.328 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.413 HG12 ' H ' ' C' ' 36' ' ' VAL . 32.2 m -150.59 150.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.06 151.03 22.88 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.14 20.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' VAL . 92.6 t -103.98 117.89 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 39' ' ' VAL . 89.3 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.456 ' H1 ' ' H ' ' C' ' 2' ' ' ALA . 11.0 t70 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.456 ' H ' ' H1 ' ' C' ' 1' ' ' ASP . . . -164.99 107.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' C' ' 4' ' ' PHE . 63.2 tt0 -144.52 96.95 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' C' ' 3' ' ' GLU . 8.9 m-85 -141.74 131.52 24.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.574 HH12 ' N ' ' B' ' 6' ' ' HIS . 4.7 tpt180 -164.51 148.48 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -86.65 41.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' C' ' 8' ' ' SER . 12.6 t0 -171.8 -104.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 7.1 m 54.24 110.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.509 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.28 150.44 22.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' C' ' 10' ' ' TYR . 0.0 OUTLIER -149.72 149.15 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.521 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' D' ' 11' ' ' GLU . 27.4 tt0 -149.91 147.97 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.14 144.01 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.621 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 0.47 ' ND1' ' OE1' ' D' ' 15' ' ' GLN . 22.5 t60 -168.72 106.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.72 ' HE2' ' CG2' ' B' ' 12' ' ' VAL . 28.0 m-70 -115.62 -128.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 15' ' ' GLN . 25.5 tt0 -146.95 -110.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 8.3 tttm -34.09 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp -147.69 145.67 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 2.4 p -149.41 146.86 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -156.77 155.08 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.536 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 172.32 -171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 111.172 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.28 124.01 41.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.523 ' CD ' ' HH ' ' D' ' 10' ' ' TYR . 72.6 mm-40 -93.24 118.32 31.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -140.46 106.65 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.488 HG13 ' H ' ' C' ' 25' ' ' GLY . 0.5 OUTLIER -117.94 173.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.488 ' H ' HG13 ' C' ' 24' ' ' VAL . . . 92.26 -82.78 1.16 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -155.63 136.34 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.525 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 61.8 t30 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.59 ' N ' ' CD ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -136.31 157.07 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.69 88.62 1.57 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' D' ' 30' ' ' ALA . . . -154.11 -138.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.731 0.3 . . . . 0.0 110.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 mt -145.33 144.31 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.41 145.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.429 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.472 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -149.62 147.28 17.43 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.49 HD12 ' N ' ' C' ' 34' ' ' LEU . 2.9 mp -148.96 147.59 28.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 20.3 mtm -148.64 146.59 28.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.371 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.413 ' H ' HG12 ' B' ' 36' ' ' VAL . 33.9 m -153.6 153.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.728 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.49 151.75 23.47 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.94 18.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.2 147.45 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' C' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.595 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . 0.439 ' O ' ' CD1' ' D' ' 4' ' ' PHE . . . -139.34 -131.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.582 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 46.09 80.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 2' ' ' ALA . 49.0 m-85 -135.62 -172.63 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? 55.2 -164.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -91.4 -143.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.14 179.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 1.1 m 73.07 104.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.687 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.76 146.51 15.82 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 1.061 ' O ' ' O ' ' E' ' 10' ' ' TYR . 1.7 t80 -144.46 145.46 31.9 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' E' ' 11' ' ' GLU . 11.8 pt-20 -149.43 144.81 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.958 ' O ' ' HB ' ' E' ' 12' ' ' VAL . 4.5 m -119.69 103.32 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.695 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.629 ' CG ' ' H ' ' D' ' 14' ' ' HIS . 0.8 OUTLIER -51.72 -160.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.714 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.629 ' H ' ' CG ' ' D' ' 13' ' ' HIS . 9.0 p-80 -114.53 150.4 34.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.675 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 176.3 104.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.394 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 4.9 mmtp 40.67 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.391 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' D' ' 15' ' ' GLN . 0.2 OUTLIER -147.17 144.09 28.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.284 179.693 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.36 148.94 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.607 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 11.6 t80 -152.92 149.82 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.226 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 176.27 -175.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.092 0.473 . . . . 0.0 111.33 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.42 127.48 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.437 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -101.0 117.45 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.15 112.8 9.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.42 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -122.92 -175.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.42 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 90.37 -99.78 2.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 115.41 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.0 159.83 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.492 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.564 ' CD ' ' N ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -108.28 159.37 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.67 102.31 1.19 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' C' ' 30' ' ' ALA . . . -157.4 -140.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.537 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -144.83 143.88 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -147.24 145.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.71 18.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mp -148.67 147.05 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.444 ' O ' ' HA ' ' E' ' 35' ' ' MET . 11.2 ttt -149.64 146.87 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -154.04 153.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.69 153.16 24.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.14 19.11 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.93 130.66 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.586 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.98 -7.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.54 101.87 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -103.45 -87.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -89.82 -156.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -72.31 -130.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' E' ' 8' ' ' SER . 5.4 m-20 44.83 88.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 70.9 m -168.65 -73.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' E' ' 10' ' ' TYR . . . -160.58 159.16 30.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 1.061 ' O ' ' O ' ' D' ' 10' ' ' TYR . 2.5 m-85 -158.3 158.46 34.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 0.0 110.981 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.0 OUTLIER -148.26 143.32 26.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.975 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.958 ' HB ' ' O ' ' D' ' 12' ' ' VAL . 2.5 t -84.81 -126.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.434 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.547 ' O ' ' CB ' ' E' ' 14' ' ' HIS . 0.1 OUTLIER 158.25 -139.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.626 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.547 ' CB ' ' O ' ' E' ' 13' ' ' HIS . 5.4 t-80 84.76 -167.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.592 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.707 HE21 ' N ' ' E' ' 16' ' ' LYS . 0.0 OUTLIER 63.66 -170.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.707 ' N ' HE21 ' E' ' 15' ' ' GLN . 30.8 tptt -39.58 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' D' ' 17' ' ' LEU . 5.3 tp -149.72 147.04 27.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.78 147.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.607 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 29.3 t80 -151.99 149.26 28.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.282 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' OE1' ' E' ' 11' ' ' GLU . 0.6 OUTLIER -163.91 163.31 23.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.936 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.29 98.41 6.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.321 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -79.96 98.21 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -126.34 119.33 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.433 HG13 ' H ' ' E' ' 25' ' ' GLY . 2.6 t -150.67 172.42 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.433 ' H ' HG13 ' E' ' 24' ' ' VAL . . . 100.92 -83.91 0.53 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -141.11 115.6 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.14 -178.57 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.68 144.18 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.24 101.01 2.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . -165.66 -114.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.479 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -146.11 145.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -147.46 146.1 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 148.68 20.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.26 148.93 29.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' D' ' 35' ' ' MET . 15.5 ptt? -152.88 149.95 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' E' ' 35' ' ' MET . 21.2 m -157.18 156.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.0 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.05 150.61 22.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.44 128.75 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.604 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' F' ' 4' ' ' PHE . . . 60.65 33.84 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' F' ' 5' ' ' ARG . 25.2 tt0 63.44 1.43 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . 0.463 ' H ' ' C ' ' F' ' 2' ' ' ALA . 28.0 t80 63.17 -70.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' F' ' 3' ' ' GLU . 73.4 mtt180 -57.34 172.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -167.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.76 147.99 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.605 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.6 t -143.95 -157.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 152.22 23.87 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -150.31 148.49 28.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 147.24 28.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.52 152.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.695 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -176.88 147.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.651 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 0.8 OUTLIER -173.6 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.651 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.3 mm100 -139.2 -178.87 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 56.4 mttp 42.9 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 15' ' ' GLN . 2.2 pp -146.62 144.86 29.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.268 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.96 145.63 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' F' ' 20' ' ' PHE . 3.4 p90 -149.57 147.47 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.761 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 28.9 m-85 -153.37 152.47 31.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.48 100.87 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 178.93 174.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' G' ' 27' ' ' ASN . 22.6 p-10 -102.23 146.78 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.03 159.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.86 -95.72 2.12 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.608 ' HG ' ' N ' ' F' ' 27' ' ' ASN . 41.0 t -140.16 160.35 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.608 ' N ' ' HG ' ' F' ' 26' ' ' SER . 4.4 t-20 -85.05 165.81 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.519 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 0.6 OUTLIER -129.97 -171.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.404 ' H ' ' HG3' ' F' ' 28' ' ' LYS . . . -72.42 89.38 0.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' ND2' ' G' ' 27' ' ' ASN . . . -157.16 -165.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -146.0 144.16 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.155 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 pt -150.92 149.72 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.728 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 148.96 20.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' F' ' 34' ' ' LEU . 1.4 pt? -150.37 148.61 29.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 22.7 ttm -149.62 146.25 27.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.288 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.493 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 19.4 m -151.62 152.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.796 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.96 149.59 21.32 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.98 22.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.67 134.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.582 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.87 179.26 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.7 120.11 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -59.96 -173.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.622 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.8 108.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' H' ' 6' ' ' HIS . 91.8 m-70 -140.74 -179.02 5.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.2 89.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 31.2 m -105.95 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 0.507 ' C ' ' CG ' ' G' ' 10' ' ' TYR . . . -158.83 156.86 27.9 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.1 OUTLIER -153.73 154.14 33.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.63 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -151.96 149.36 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 7.9 m -118.32 108.32 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.45 91.77 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.764 ' ND1' ' N ' ' G' ' 15' ' ' GLN . 42.2 t-80 -128.26 161.24 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.537 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.764 ' N ' ' ND1' ' G' ' 14' ' ' HIS . 9.5 mt-30 -101.66 -158.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 20.2 mmtp 39.0 -104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 145.08 30.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.478 ' H ' HG22 ' H' ' 18' ' ' VAL . 3.7 p -152.47 150.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.525 ' CE2' ' CG1' ' G' ' 36' ' ' VAL . 0.5 OUTLIER -158.51 156.23 29.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.581 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.761 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 167.45 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 0.0 111.221 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.13 16.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.097 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.02 134.62 40.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.44 ' HA ' ' O ' ' H' ' 23' ' ' ASP . 15.0 t70 -148.92 119.92 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.252 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.406 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 3.9 m -84.98 176.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.656 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.65 -123.11 6.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.97 153.14 46.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.529 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.535 ' N ' ' OD2' ' F' ' 23' ' ' ASP . 61.3 t30 -81.85 160.68 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -175.75 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.49 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 90.29 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.421 ' C ' ' CD1' ' G' ' 31' ' ' ILE . . . -152.02 -168.05 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.595 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.421 ' CD1' ' C ' ' G' ' 30' ' ' ALA . 4.6 mp -146.46 145.65 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.214 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.69 146.24 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 147.61 18.16 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 2.1 pt? -153.07 150.71 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.543 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -152.65 150.59 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.604 HG13 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -153.06 153.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.689 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 149.99 21.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 148.31 19.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.451 ' O ' ' OXT' ' G' ' 40' ' ' VAL . 67.9 t -106.38 126.75 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.544 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.451 ' OXT' ' O ' ' G' ' 39' ' ' VAL . 87.8 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.87 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.492 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.27 92.93 9.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.25 -97.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -98.49 97.28 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.557 ' C ' ' H ' ' H' ' 8' ' ' SER . 57.1 m80 -148.37 92.89 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.58 35.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 69.8 m -65.08 171.99 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.91 153.92 25.14 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' G' ' 10' ' ' TYR . 74.9 t80 -146.89 145.43 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.686 0.279 . . . . 0.0 110.338 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' I' ' 13' ' ' HIS . 14.4 tt0 -148.5 147.09 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.528 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.19 148.8 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' I' ' 13' ' ' HIS . 36.9 t60 -168.39 132.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.611 ' H ' ' NE2' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -160.46 -155.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.779 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.541 ' O ' ' C ' ' H' ' 16' ' ' LYS . 28.4 mt-30 -132.5 -158.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' H' ' 15' ' ' GLN . 3.7 tttp 26.65 -94.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' H' ' 15' ' ' GLN . 5.3 tt -147.57 145.36 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.402 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.491 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 38.1 t -150.18 147.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.682 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -157.09 155.38 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.689 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER 173.15 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.213 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.37 122.39 39.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.318 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 3.1 mp0 -97.55 111.35 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' G' ' 23' ' ' ASP . 46.5 t0 -135.67 111.82 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.416 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.93 179.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.406 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 87.09 -114.16 4.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 67.4 p -142.23 129.84 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.579 ' CG ' ' H ' ' H' ' 28' ' ' LYS . 49.6 t30 -70.15 -178.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.579 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -138.65 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.7 92.17 0.79 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.407 ' HB3' ' H ' ' H' ' 31' ' ' ILE . . . -150.59 -154.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.407 ' H ' ' HB3' ' H' ' 30' ' ' ALA . 14.1 mt -145.65 144.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.208 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.98 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -153.77 150.97 22.75 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -157.33 156.48 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' H' ' 35' ' ' MET . 4.6 ppp? -149.62 149.08 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.604 ' H ' HG13 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.69 147.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.63 148.77 20.3 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.78 148.14 19.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.98 141.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.532 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -80.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.96 86.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -82.51 46.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -159.01 151.89 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 4.5 p80 -102.15 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p30 179.21 -169.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 68.4 m 59.32 159.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -166.65 163.59 37.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' J' ' 10' ' ' TYR . 44.4 m-85 -147.58 149.25 32.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.658 0.266 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.819 ' HA ' ' HA ' ' J' ' 11' ' ' GLU . 0.9 OUTLIER -146.83 143.7 28.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.83 ' N ' ' H ' ' J' ' 12' ' ' VAL . 14.3 m -115.16 107.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.666 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' H' ' 13' ' ' HIS . 9.7 m170 -40.28 -102.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' I' ' 15' ' ' GLN . 7.8 p80 178.19 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.611 ' NE2' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER 85.58 169.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' I' ' 15' ' ' GLN . 8.1 mmtp -20.58 -84.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.451 HD11 ' H ' ' I' ' 18' ' ' VAL . 66.4 tp -146.37 144.02 29.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.242 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.451 ' H ' HD11 ' I' ' 17' ' ' LEU . 1.8 t -147.65 146.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.547 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 13.0 t80 -152.6 149.29 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 10.5 p90 175.11 -173.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.164 0.507 . . . . 0.0 111.373 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.47 126.33 47.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.64 117.94 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.692 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 9.6 t0 -142.06 113.38 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.371 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.78 -173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.17 -98.14 2.34 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -146.81 114.79 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.88 177.76 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -126.46 166.12 17.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.39 97.32 1.8 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' J' ' 30' ' ' ALA . . . -151.48 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.659 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.43 HG22 HD12 ' I' ' 31' ' ' ILE . 49.0 mt -145.1 144.62 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.264 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.9 145.2 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' I' ' 34' ' ' LEU . . . -150.92 148.55 19.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.441 ' C ' ' SD ' ' I' ' 35' ' ' MET . 5.8 mp -150.64 149.39 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.573 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -148.02 146.45 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' H' ' 36' ' ' VAL . 0.0 OUTLIER -148.75 147.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.536 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.4 149.12 20.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 149.75 21.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.13 119.91 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' J' ' 40' ' ' VAL . 87.6 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.608 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.27 34.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.05 41.82 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -140.88 -79.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -46.06 166.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' J' ' 6' ' ' HIS . 25.7 m-70 -60.1 -120.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' I' ' 8' ' ' SER . 12.2 m-20 51.98 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.0 OUTLIER -35.79 159.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.69 73.07 0.58 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' I' ' 10' ' ' TYR . 27.1 t80 -149.24 146.85 27.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.819 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -144.56 140.69 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.83 ' H ' ' N ' ' I' ' 12' ' ' VAL . 1.8 t -64.43 -65.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.583 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.659 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 3.5 t-160 60.84 97.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 18.3 m80 -169.59 -172.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.544 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.556 ' O ' ' C ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER 48.69 170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' J' ' 15' ' ' GLN . 25.7 mmtp 23.91 -117.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.714 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.407 HD12 ' H ' ' J' ' 18' ' ' VAL . 66.6 tp -148.47 145.98 28.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' J' ' 20' ' ' PHE . 83.0 t -150.22 148.58 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 10.2 t80 -155.26 153.24 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.585 ' N ' ' CD2' ' J' ' 20' ' ' PHE . 0.0 OUTLIER 172.58 -171.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 111.172 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.34 111.14 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -88.79 88.7 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.6 115.29 25.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.364 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 m -138.76 -176.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.06 -89.88 1.56 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 55.1 p -143.62 117.17 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.746 ' ND2' ' H ' ' J' ' 28' ' ' LYS . 0.3 OUTLIER -92.59 169.14 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.746 ' H ' ' ND2' ' J' ' 27' ' ' ASN . 0.1 OUTLIER -105.78 153.85 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 105.73 3.15 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -165.03 -120.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.623 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 19.0 pt -146.74 145.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.26 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.66 146.41 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 148.56 19.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.401 ' CD1' ' H ' ' J' ' 35' ' ' MET . 0.1 OUTLIER -149.94 148.98 29.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.51 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.67 145.54 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.2 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.44 153.44 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.76 153.58 24.9 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.71 148.87 20.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 m -123.92 147.64 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' I' ' 40' ' ' VAL . 48.2 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' GLU . . . -152.97 95.08 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 52.46 171.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -172.61 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.15 -45.86 11.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -60.46 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -144.96 162.06 37.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER -96.79 22.64 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.712 ' O ' ' HB2' ' A' ' 10' ' ' TYR . . . -151.01 148.67 20.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.712 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER 161.26 -158.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.111 0.481 . . . . 0.0 110.9 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -146.35 147.08 30.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.752 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.755 ' HB ' ' O ' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -114.72 147.52 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.933 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.66 ' CA ' ' HA ' ' B' ' 14' ' ' HIS . 4.2 p80 -165.87 130.9 2.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.714 ' ND1' ' CE1' ' B' ' 14' ' ' HIS . 10.8 m80 -157.46 -148.03 0.2 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.585 ' O ' ' CB ' ' B' ' 15' ' ' GLN . 57.7 mt-30 -128.55 162.37 27.41 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 1.043 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 10.3 ptpp? -25.02 140.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 1.432 ' O ' ' CB ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER 155.1 -151.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 179.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.942 HG23 ' N ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -164.68 166.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.418 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.942 ' N ' HG23 ' A' ' 18' ' ' VAL . 2.6 t80 178.22 -179.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 111.014 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.853 ' CD1' ' HA ' ' B' ' 20' ' ' PHE . 54.0 m-85 -172.58 171.62 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.85 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' B' ' 21' ' ' ALA . . . -173.5 -146.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.5 pm0 -160.63 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.546 ' CB ' ' H ' ' B' ' 27' ' ' ASN . 3.6 t0 -47.18 88.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' GLU . 3.9 p -52.46 124.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.5 -52.24 0.71 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -154.18 163.27 40.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.39 104.66 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 11.1 tptp -97.32 -148.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.512 ' H ' ' CG ' ' A' ' 28' ' ' LYS . . . -65.31 88.73 0.1 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' B' ' 30' ' ' ALA . . . -157.59 135.8 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.422 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 1.367 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 1.5 mm -70.68 -64.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.798 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.281 ' CG2' ' H ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 152.01 -147.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.146 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 1.281 ' H ' ' CG2' ' A' ' 32' ' ' ILE . . . 155.37 -156.98 27.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.034 ' N ' ' HB3' ' B' ' 34' ' ' LEU . 15.6 tp -146.61 145.07 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 1.326 ' HA ' ' O ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -146.21 147.0 31.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.443 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.98 ' CG2' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER 68.02 70.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.765 ' H ' ' H ' ' B' ' 37' ' ' GLY . . . -139.35 137.71 8.77 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.658 ' HA3' ' HA2' ' B' ' 38' ' ' GLY . . . 152.84 -149.25 20.82 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.706 ' O ' ' O ' ' B' ' 38' ' ' GLY . 26.4 t -102.4 160.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 15.2 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.673 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 -101.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.49 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -66.02 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 6' ' ' HIS . 67.3 mtp85 -80.21 -116.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 5' ' ' ARG . 4.8 m-70 49.75 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.74 145.2 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.8 OUTLIER -118.55 86.66 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.51 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -151.8 149.96 21.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.972 ' O ' ' O ' ' C' ' 10' ' ' TYR . 31.8 m-85 -141.2 141.45 34.06 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.836 ' O ' ' CG1' ' B' ' 12' ' ' VAL . 18.3 tt0 -64.71 -72.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.106 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 1.024 ' CB ' ' HA ' ' C' ' 11' ' ' GLU . 7.9 p 119.43 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 110.381 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.996 ' C ' ' O ' ' C' ' 14' ' ' HIS . 52.6 t-80 -105.97 160.28 15.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.591 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 1.284 ' N ' ' O ' ' C' ' 14' ' ' HIS . 3.1 t60 175.9 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.424 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.629 ' HB2' ' NE2' ' C' ' 15' ' ' GLN . 29.2 mt-30 -53.51 -145.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.191 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 1.043 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 22.6 tttp -136.86 -34.05 0.75 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.573 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 1.432 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.9 mm? -66.31 -70.87 0.22 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.223 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 1.267 ' CB ' ' HB ' ' C' ' 18' ' ' VAL . 0.7 OUTLIER -141.05 140.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 121.985 -0.447 . . . . 0.0 110.246 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 1.081 ' CE2' ' CE2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -65.88 -77.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.905 ' CD2' ' HB3' ' A' ' 19' ' ' PHE . 1.1 m-85 155.37 -151.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 1.144 ' HA ' ' CE1' ' C' ' 20' ' ' PHE . . . -147.23 117.7 7.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -169.74 123.73 0.77 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 5.2 p-10 -93.78 167.01 11.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.065 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 m -73.53 155.23 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 -92.37 0.17 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.523 ' CB ' ' OD2' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -147.43 156.01 42.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.652 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.546 ' H ' ' CB ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -127.52 89.32 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.519 ' H ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.29 98.36 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.067 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.579 ' HA3' ' HB ' ' C' ' 31' ' ' ILE . . . -126.13 -137.45 4.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 1.027 ' N ' ' O ' ' C' ' 30' ' ' ALA . . . -128.73 -72.4 0.61 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.576 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 1.367 ' HB ' ' CB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -146.51 146.0 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.477 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 1.091 ' CG2' ' O ' ' B' ' 31' ' ' ILE . 1.9 pp 146.99 -146.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.881 ' N ' HD13 ' B' ' 32' ' ' ILE . . . 63.93 72.11 0.74 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.382 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 1.034 ' HB3' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 177.62 -178.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 0.0 111.103 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 1.326 ' O ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER 175.65 -171.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.282 0.563 . . . . 0.0 111.457 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.724 ' N ' ' HG3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -156.17 148.88 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.221 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.765 ' H ' ' H ' ' A' ' 37' ' ' GLY . . . -138.91 141.1 11.55 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.706 ' O ' ' O ' ' A' ' 39' ' ' VAL . . . -60.26 -77.42 0.18 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.456 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.797 HG22 ' H ' ' C' ' 40' ' ' VAL . 1.4 m -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.964 0.411 . . . . 0.0 110.975 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.625 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' C' ' 1' ' ' ASP . 22.5 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.18 -56.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -167.24 138.94 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -61.66 -78.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -91.55 123.57 35.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -83.56 139.1 33.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -164.79 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.184 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 2.1 t 47.45 -114.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.469 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.684 ' N ' ' OG ' ' C' ' 8' ' ' SER . . . 155.44 -153.53 24.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.972 ' O ' ' O ' ' B' ' 10' ' ' TYR . 0.0 OUTLIER -154.4 149.69 27.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 1.024 ' HA ' ' CB ' ' B' ' 12' ' ' VAL . 1.2 pt-20 157.08 -153.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.892 ' O ' ' HB ' ' D' ' 12' ' ' VAL . 78.8 t 99.3 54.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 1.257 ' ND1' ' O ' ' C' ' 13' ' ' HIS . 0.0 OUTLIER 167.92 -0.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.711 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 1.284 ' O ' ' N ' ' B' ' 14' ' ' HIS . 7.8 m170 -7.17 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.891 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 1.145 ' OE1' ' N ' ' B' ' 17' ' ' LEU . 0.0 OUTLIER -64.39 -69.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.337 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 1.106 ' O ' HG12 ' D' ' 18' ' ' VAL . 29.0 ttmt 139.96 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.951 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER -75.69 -67.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.965 -178.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 1.267 ' HB ' ' CB ' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.04 -78.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 1.048 ' H ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER 69.59 70.88 0.24 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.025 -179.577 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 1.144 ' CE1' ' HA ' ' B' ' 21' ' ' ALA . 5.1 p90 -63.24 -73.76 0.11 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.872 0.367 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 1.071 ' HB1' ' O ' ' D' ' 21' ' ' ALA . . . 162.37 -156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' D' ' 22' ' ' GLU . 0.3 OUTLIER 171.91 104.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' C' ' 24' ' ' VAL . 0.7 OUTLIER -88.74 168.24 12.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' C' ' 23' ' ' ASP . 2.1 p -35.54 143.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.604 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.54 -49.97 6.98 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -85.6 102.99 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.489 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.665 ' ND2' ' N ' ' C' ' 28' ' ' LYS . 1.6 t30 -109.63 168.34 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.665 ' N ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -127.82 89.53 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' D' ' 31' ' ' ILE . . . -176.4 -175.65 43.92 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 1.027 ' O ' ' N ' ' B' ' 30' ' ' ALA . . . -72.6 -26.65 61.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 1.048 ' H ' ' CG2' ' D' ' 31' ' ' ILE . 9.3 tp 150.68 -152.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.961 ' N ' HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -148.78 143.97 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.747 ' N ' HG13 ' D' ' 32' ' ' ILE . . . -149.48 151.1 23.27 Favored Glycine 0 N--CA 1.46 0.281 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.526 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.892 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -141.98 137.45 31.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 1.052 ' HA ' ' HB2' ' B' ' 35' ' ' MET . 1.3 tmt? -143.94 144.99 31.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.869 ' HB ' ' O ' ' C' ' 35' ' ' MET . 1.8 p 158.06 -154.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 155.76 -156.16 26.82 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . 1.139 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -151.41 148.09 18.76 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.205 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.674 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 1.5 t -108.29 119.11 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.287 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.797 ' H ' HG22 ' B' ' 39' ' ' VAL . 41.5 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.57 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.01 -101.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' D' ' 24' ' ' VAL . 65.3 mt-10 -50.81 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -75.73 -51.82 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -153.09 45.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.52 ' N ' ' ND1' ' D' ' 6' ' ' HIS . 0.5 OUTLIER -81.16 -161.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.1 10.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.1 OUTLIER 51.46 -100.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.443 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.805 ' O ' ' HA ' ' C' ' 10' ' ' TYR . . . 63.71 71.36 0.86 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 1.006 ' O ' ' N ' ' C' ' 11' ' ' GLU . 0.0 OUTLIER -63.25 -73.68 0.11 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.933 -179.624 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 1.258 ' CA ' ' O ' ' E' ' 10' ' ' TYR . 23.2 tt0 72.55 69.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.514 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.949 ' H ' ' HA ' ' E' ' 11' ' ' GLU . 0.2 OUTLIER -126.9 167.02 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.784 0.326 . . . . 0.0 110.484 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 1.02 ' HA ' HG22 ' D' ' 18' ' ' VAL . 49.1 t-80 78.73 156.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' D' ' 13' ' ' HIS . 42.5 t-80 -151.98 -40.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 32.5 tt0 -179.88 76.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.805 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.781 ' H ' ' HE2' ' D' ' 13' ' ' HIS . 11.1 mttm 162.88 -104.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.618 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 1.036 ' O ' HG12 ' D' ' 18' ' ' VAL . 1.1 pp -148.32 144.16 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 1.106 HG12 ' O ' ' C' ' 16' ' ' LYS . 0.0 OUTLIER 172.71 -173.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 119.918 -0.713 . . . . 0.0 112.208 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 1.052 ' O ' ' CG ' ' D' ' 19' ' ' PHE . 0.0 OUTLIER 72.76 69.77 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.041 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 1.175 ' HA ' ' CB ' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -146.83 140.06 25.49 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . 1.071 ' O ' ' HB1' ' C' ' 21' ' ' ALA . . . 112.41 98.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.682 ' HA ' ' HB ' ' E' ' 32' ' ' ILE . 0.1 OUTLIER 75.81 176.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.507 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.909 ' HA ' ' CG ' ' E' ' 22' ' ' GLU . 0.0 OUTLIER -116.85 -154.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.625 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' D' ' 3' ' ' GLU . 0.0 OUTLIER -124.12 61.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.418 ' HA3' HD22 ' E' ' 27' ' ' ASN . . . 147.48 -22.61 1.52 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.698 ' OG ' ' N ' ' E' ' 29' ' ' GLY . 0.0 OUTLIER -157.32 175.79 13.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.745 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.912 ' HB3' ' C ' ' E' ' 31' ' ' ILE . 76.8 m-20 -156.57 -115.7 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 1.248 ' N ' ' H ' ' E' ' 31' ' ' ILE . 20.8 mtpt -179.8 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.542 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 1.133 ' C ' ' HB ' ' E' ' 31' ' ' ILE . . . -34.1 -125.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.262 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 1.257 ' C ' HG12 ' E' ' 31' ' ' ILE . . . -112.92 36.69 3.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 1.048 ' CG2' ' H ' ' C' ' 31' ' ' ILE . 3.3 tp 53.34 68.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.989 ' CG1' ' H ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER 161.41 -163.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.347 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.989 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 69.67 71.49 0.99 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.536 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.93 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.1 OUTLIER -143.75 139.55 29.49 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.761 ' N ' ' CD2' ' D' ' 34' ' ' LEU . 1.7 mpt? -152.89 152.13 31.16 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.866 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.7 OUTLIER -172.29 172.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.003 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' C' ' 37' ' ' GLY . . . 63.74 68.2 1.75 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 1.139 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -63.85 -72.37 0.7 Allowed Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.822 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.674 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 0.1 OUTLIER -120.12 152.29 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 110.715 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.487 ' OXT' ' O ' ' C' ' 40' ' ' VAL . 87.2 t . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' E' ' 1' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.2 38.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -166.18 114.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -171.35 63.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.43 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -139.95 152.31 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . 0.476 ' CG ' ' N ' ' E' ' 7' ' ' ASP . 12.1 t-160 -55.39 -102.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . 0.476 ' N ' ' CG ' ' E' ' 6' ' ' HIS . 29.2 t70 -57.56 150.4 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 96.0 p -160.06 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.566 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' E' ' 8' ' ' SER . . . 162.45 -163.67 35.2 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 1.258 ' O ' ' CA ' ' D' ' 11' ' ' GLU . 0.6 OUTLIER 168.98 -167.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.073 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.949 ' HA ' ' H ' ' D' ' 12' ' ' VAL . 0.0 OUTLIER -62.27 -67.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.927 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.819 ' HB ' ' O ' ' E' ' 11' ' ' GLU . 8.9 p 127.45 -43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 0.0 110.419 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.576 ' O ' ' ND1' ' D' ' 13' ' ' HIS . 35.6 m80 -138.38 130.08 27.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' E' ' 14' ' ' HIS . 1.8 t60 -110.66 -11.43 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' E' ' 14' ' ' HIS . 18.4 mm100 -44.94 171.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 54.16 -113.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 tp -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.538 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.695 ' O ' ' CD1' ' E' ' 19' ' ' PHE . 1.2 m -149.58 145.92 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 1.136 ' C ' ' CD2' ' E' ' 20' ' ' PHE . 1.0 OUTLIER 159.06 -152.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.709 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 1.136 ' CD2' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 52.5 67.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.026 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 1.175 ' CB ' ' HA ' ' D' ' 20' ' ' PHE . . . -171.51 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . 0.909 ' CG ' ' HA ' ' D' ' 23' ' ' ASP . 1.0 OUTLIER -166.7 -170.45 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.913 -178.79 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.556 ' O ' ' CD ' ' E' ' 22' ' ' GLU . 3.1 p30 -96.76 -155.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.494 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' E' ' 26' ' ' SER . 28.9 m -74.51 -153.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.372 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.49 43.78 0.34 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.511 ' H ' ' C ' ' E' ' 24' ' ' VAL . 7.5 t -145.61 115.7 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.418 HD22 ' HA3' ' D' ' 25' ' ' GLY . 0.1 OUTLIER -152.08 160.3 43.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.461 ' N ' ' OG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -147.04 97.83 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.809 ' HA3' ' O ' ' D' ' 27' ' ' ASN . . . 174.3 -165.68 37.33 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.712 ' O ' HG13 ' E' ' 31' ' ' ILE . . . -131.97 -10.0 3.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.662 0.268 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 1.257 HG12 ' C ' ' D' ' 30' ' ' ALA . 3.8 mp -161.94 159.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.432 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.742 ' O ' ' O ' ' D' ' 32' ' ' ILE . 0.9 OUTLIER -151.55 151.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 110.958 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.718 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -146.16 142.24 10.36 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.93 ' O ' HD22 ' D' ' 34' ' ' LEU . 0.4 OUTLIER -145.03 145.48 31.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.845 ' O ' ' CG1' ' E' ' 36' ' ' VAL . 0.4 OUTLIER -143.56 140.9 30.45 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.866 ' O ' ' HA ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER 159.86 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 121.153 0.502 . . . . 0.0 110.432 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.68 ' HA2' ' H ' ' D' ' 37' ' ' GLY . . . 160.14 -160.68 31.88 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.379 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' D' ' 39' ' ' VAL . . . -151.23 150.29 22.21 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 40' ' ' VAL . 2.3 m -92.6 114.02 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 39' ' ' VAL . 3.0 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.6 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.76 -125.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -141.9 -10.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 9.4 t80 49.81 83.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -151.59 46.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 m80 53.11 -138.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.53 133.9 56.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.0 m -106.47 136.74 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.79 153.6 24.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' OE2' ' F' ' 22' ' ' GLU . 0.4 OUTLIER -152.78 151.07 30.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.5 148.59 29.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.22 96.09 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 8.3 t-80 -107.51 111.2 23.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 32.4 m-70 -164.16 -173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.424 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 6.7 mt-30 -139.92 -168.55 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.9 tttt 63.55 -117.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.619 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.1 pp -152.46 149.65 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.184 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.749 ' CG2' ' H ' ' F' ' 19' ' ' PHE . 8.5 p 170.69 -170.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.062 0.458 . . . . 0.0 111.263 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.749 ' H ' ' CG2' ' F' ' 18' ' ' VAL . 1.1 p90 -151.01 151.57 32.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.077 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.886 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 34.1 m-85 -152.73 150.59 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.12 110.41 22.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CD2' ' F' ' 10' ' ' TYR . 1.5 tp10 -82.79 106.94 15.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -141.42 104.34 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' G' ' 25' ' ' GLY . 6.3 m -74.52 145.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.57 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.79 -106.79 3.4 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -155.39 157.82 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -78.01 123.99 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' G' ' 1' ' ' ASP . 47.9 mmtt -81.49 -172.7 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.08 89.42 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.1 179.41 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.631 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 1.5 mt -147.61 146.17 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.333 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.761 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 2.1 pp -145.04 144.24 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.261 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.894 ' O ' ' HB2' ' F' ' 34' ' ' LEU . . . -158.89 155.96 27.02 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 1.001 ' HB3' ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER 150.03 -150.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 1.176 ' O ' ' CA ' ' G' ' 35' ' ' MET . 19.4 mtm -154.16 150.55 28.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.256 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -148.59 150.2 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.738 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . 66.45 71.12 0.96 Allowed Glycine 0 C--O 1.224 -0.485 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 1.094 ' O ' ' HA3' ' G' ' 38' ' ' GLY . . . -146.43 142.05 10.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.998 ' HA ' ' H ' ' G' ' 39' ' ' VAL . 2.9 m -128.44 -110.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.913 0.387 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' F' ' 28' ' ' LYS . 20.4 t0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.67 166.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -88.34 -154.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -152.15 160.47 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 59.56 -135.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . 0.51 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.0 OUTLIER -156.81 -144.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . 0.51 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 19.4 t70 56.2 103.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.199 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 5.2 m -167.25 149.45 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 0.508 ' C ' ' CD1' ' G' ' 10' ' ' TYR . . . -158.98 157.13 28.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' G' ' 9' ' ' GLY . 10.3 m-85 -151.09 150.61 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.74 150.7 30.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' OH ' ' H' ' 10' ' ' TYR . 16.2 m -119.9 144.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' G' ' 14' ' ' HIS . 22.4 t-80 -154.71 155.2 34.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.465 ' N ' ' CG ' ' G' ' 13' ' ' HIS . 0.1 OUTLIER -167.51 -157.15 0.22 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -133.17 -100.81 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.813 ' O ' ' HB2' ' H' ' 16' ' ' LYS . 3.6 tttm -40.45 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -143.38 141.52 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.59 147.52 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.853 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.2 OUTLIER -158.76 156.84 30.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.886 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 170.75 -169.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.44 111.68 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' G' ' 22' ' ' GLU . 1.0 OUTLIER -93.91 106.8 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.568 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' G' ' 23' ' ' ASP . 0.3 OUTLIER -134.2 121.3 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.461 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.567 ' N ' HG12 ' H' ' 24' ' ' VAL . 32.0 m -90.6 -171.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.443 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 64.44 -86.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -158.7 160.28 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 110.539 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -69.18 170.8 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' G' ' 28' ' ' LYS . 0.1 OUTLIER -99.85 139.16 35.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.651 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' H' ' 28' ' ' LYS . . . -75.53 83.49 0.89 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -163.28 -134.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.417 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.631 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 24.0 mt -142.19 140.74 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 1.01 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 4.8 mp -145.48 144.05 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.481 ' O ' ' HA2' ' H' ' 33' ' ' GLY . . . -145.1 143.02 11.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 1.001 ' O ' ' HB3' ' F' ' 34' ' ' LEU . 0.3 OUTLIER -146.91 145.04 29.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.711 -179.6 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 1.214 ' O ' ' HB3' ' H' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.45 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.823 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 1.136 ' CG2' ' H ' ' H' ' 36' ' ' VAL . 1.0 OUTLIER 151.99 -149.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.738 ' O ' ' HA2' ' F' ' 37' ' ' GLY . . . 64.14 69.6 1.29 Allowed Glycine 0 C--O 1.221 -0.684 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 1.094 ' HA3' ' O ' ' F' ' 38' ' ' GLY . . . 147.17 -142.81 10.62 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.998 ' H ' ' HA ' ' F' ' 39' ' ' VAL . 90.9 t -86.3 -82.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.941 0.4 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.706 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.7 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.541 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -167.81 99.59 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' H' ' 4' ' ' PHE . 18.0 p90 -132.63 63.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . 0.669 ' HE ' ' N ' ' H' ' 5' ' ' ARG . 3.7 mmp_? -71.8 154.46 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -84.99 -48.3 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.69 136.19 38.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 11.3 m -170.23 120.53 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.26 17.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.46 ' OH ' ' CG2' ' G' ' 12' ' ' VAL . 48.2 t80 -147.55 145.88 29.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 110.413 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.64 147.95 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.434 ' CG1' ' CE2' ' H' ' 10' ' ' TYR . 3.1 m -130.34 153.16 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.998 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.53 ' C ' ' CG ' ' H' ' 14' ' ' HIS . 16.8 p80 -176.81 128.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.555 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -157.95 -155.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' H' ' 16' ' ' LYS . 1.7 tp-100 -125.06 -161.3 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.813 ' HB2' ' O ' ' G' ' 16' ' ' LYS . 12.0 mptt 36.04 -101.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.82 142.39 29.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.787 ' O ' ' CG2' ' I' ' 18' ' ' VAL . 51.9 t -151.79 148.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.766 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.776 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -159.02 159.21 34.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.718 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' H' ' 19' ' ' PHE . 0.2 OUTLIER 177.62 -177.94 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.138 0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.92 149.7 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.364 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -126.27 115.31 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -129.97 117.44 20.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.567 HG12 ' N ' ' G' ' 24' ' ' VAL . 0.0 OUTLIER -161.23 94.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.468 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.07 -96.52 0.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' H' ' 26' ' ' SER . 38.0 p -141.52 84.7 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.621 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.693 ' H ' ' NZ ' ' H' ' 28' ' ' LYS . 5.6 p30 -161.33 93.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.693 ' NZ ' ' H ' ' H' ' 27' ' ' ASN . 2.4 mptp? -140.56 84.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.21 69.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.551 ' O ' ' HB1' ' G' ' 30' ' ' ALA . . . 175.74 -140.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.602 ' O ' HG22 ' I' ' 32' ' ' ILE . 8.0 mt -145.54 144.85 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.111 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . 1.01 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 2.9 mt -145.76 144.87 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.356 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' G' ' 33' ' ' GLY . . . -153.77 150.02 21.61 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.662 ' O ' ' CB ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -146.67 147.2 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 1.214 ' HB3' ' O ' ' G' ' 35' ' ' MET . 0.1 OUTLIER -151.69 149.45 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.359 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 1.136 ' H ' ' CG2' ' G' ' 36' ' ' VAL . 0.4 OUTLIER -171.1 167.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 111.659 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.654 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . 63.62 68.22 1.75 Allowed Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.737 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 1.053 ' O ' ' CA ' ' I' ' 38' ' ' GLY . . . -161.18 158.56 30.24 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.86 HG11 ' N ' ' H' ' 40' ' ' VAL . 2.6 t -57.12 -87.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.581 -0.364 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.86 ' N ' HG11 ' H' ' 39' ' ' VAL . 1.8 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' I' ' 1' ' ' ASP . 11.1 p-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -134.5 74.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' I' ' 2' ' ' ALA . 48.3 mt-10 58.85 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -146.26 -68.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . 0.527 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 44.3 ttp180 -153.65 102.28 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.461 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' I' ' 5' ' ' ARG . 29.4 m-70 -145.41 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.35 -96.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 1.8 m 63.8 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' I' ' 10' ' ' TYR . . . -149.77 146.92 16.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.709 ' H ' ' H ' ' J' ' 10' ' ' TYR . 32.3 m-85 -145.27 145.15 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.338 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.628 ' HA ' ' O ' ' J' ' 11' ' ' GLU . 7.0 pt-20 -150.31 148.4 28.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.545 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.92 144.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.655 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' I' ' 14' ' ' HIS . 27.2 p80 -157.52 163.88 37.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.5 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.4 OUTLIER 80.97 -152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.449 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 2.2 mt-30 64.74 142.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' J' ' 16' ' ' LYS . 37.0 tttp -81.29 -58.95 2.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 1.162 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.3 pp -149.49 145.83 27.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.838 ' HB ' ' O ' ' I' ' 17' ' ' LEU . 3.7 p 159.99 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.776 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 19.3 t80 -160.16 159.37 31.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER -149.76 149.85 31.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.228 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.13 115.96 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.469 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -103.98 105.26 15.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.668 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -123.98 124.63 43.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.613 ' CG1' ' H ' ' I' ' 25' ' ' GLY . 21.4 t -148.43 179.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.613 ' H ' ' CG1' ' I' ' 24' ' ' VAL . . . 95.98 -93.75 1.58 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -146.31 110.53 5.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -90.87 177.18 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.455 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.52 ' C ' ' HB3' ' J' ' 30' ' ' ALA . 0.0 OUTLIER -83.26 -179.73 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.07 100.71 0.83 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.887 ' N ' ' HB1' ' J' ' 30' ' ' ALA . . . -179.64 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 1.034 ' H ' ' N ' ' J' ' 31' ' ' ILE . 30.7 mt -155.0 153.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-O 120.933 0.397 . . . . 0.0 110.78 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . 0.602 HG22 ' O ' ' H' ' 31' ' ' ILE . 0.1 OUTLIER -151.41 151.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.209 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.53 ' C ' ' CD2' ' I' ' 34' ' ' LEU . . . -156.59 153.52 24.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.655 ' HA ' ' CB ' ' J' ' 34' ' ' LEU . 0.1 OUTLIER -158.23 157.78 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.447 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' J' ' 35' ' ' MET . 7.2 ttt -176.16 175.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.471 . . . . 0.0 111.234 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.832 ' O ' ' HA ' ' H' ' 36' ' ' VAL . 0.0 OUTLIER 163.57 -162.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.574 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' J' ' 37' ' ' GLY . . . 59.94 68.87 1.47 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . 1.305 ' N ' ' O ' ' J' ' 37' ' ' GLY . . . -167.37 164.63 38.05 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 1.157 ' CG1' ' H ' ' I' ' 40' ' ' VAL . 9.7 p -27.07 -96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.643 0.259 . . . . 0.0 110.367 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 1.157 ' H ' ' CG1' ' I' ' 39' ' ' VAL . 11.1 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.05 118.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -156.27 0.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.53 -172.6 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 44.71 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -55.22 -74.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.92 109.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.4 OUTLIER -90.86 36.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . 0.523 ' HA2' ' H ' ' I' ' 10' ' ' TYR . . . -155.51 155.92 26.61 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.709 ' H ' ' H ' ' I' ' 10' ' ' TYR . 1.6 t80 -60.3 -70.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.628 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 2.2 tp10 -153.72 154.26 33.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 m -131.96 95.43 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.414 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 6.4 m-70 -82.19 179.93 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.5 t60 76.06 135.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -141.51 -0.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' I' ' 16' ' ' LYS . 49.2 tttp -71.04 83.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 1.162 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 22.5 mt 60.28 69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' J' ' 19' ' ' PHE . 19.5 m -154.31 150.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' J' ' 18' ' ' VAL . 9.6 m-85 -149.53 149.78 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.307 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.62 145.37 28.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.282 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.03 112.03 23.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.32 98.77 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.468 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' CB ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -144.76 154.37 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.568 ' C ' ' H ' ' J' ' 26' ' ' SER . 5.0 m -60.42 -177.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.88 -6.37 0.12 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.568 ' H ' ' C ' ' J' ' 24' ' ' VAL . 8.7 t -93.85 83.99 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' J' ' 28' ' ' LYS . 6.5 t-20 -173.93 -142.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.503 ' H ' ' CG ' ' J' ' 27' ' ' ASN . 84.0 mttt -62.99 96.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.443 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.661 ' O ' ' HB ' ' J' ' 32' ' ' ILE . . . -145.47 -167.09 12.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.887 ' HB1' ' N ' ' I' ' 30' ' ' ALA . . . -21.95 136.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.604 0.24 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 1.034 ' N ' ' H ' ' I' ' 31' ' ' ILE . 14.1 tt 59.23 69.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.206 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.661 ' HB ' ' O ' ' J' ' 29' ' ' GLY . 0.3 OUTLIER -162.93 161.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.811 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.604 ' N ' HG22 ' J' ' 32' ' ' ILE . . . -150.72 151.13 23.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.655 ' CB ' ' HA ' ' I' ' 34' ' ' LEU . 0.1 OUTLIER -159.77 156.52 27.74 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.151 0.501 . . . . 0.0 110.22 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' I' ' 35' ' ' MET . 0.0 OUTLIER 162.83 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.536 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.944 HG21 ' O ' ' J' ' 35' ' ' MET . 1.3 m 75.42 72.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 1.305 ' O ' ' N ' ' I' ' 38' ' ' GLY . . . -143.13 136.58 7.12 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . 0.985 ' O ' ' O ' ' J' ' 39' ' ' VAL . . . 149.04 -148.58 20.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 1.027 HG11 ' H ' ' J' ' 40' ' ' VAL . 0.8 OUTLIER -2.64 -134.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.15 0.475 . . . . 0.0 110.76 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 1.027 ' H ' HG11 ' J' ' 39' ' ' VAL . 89.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.546 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.184 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.199 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.88 -161.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.24 176.18 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.597 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.6 -40.63 4.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' HIS . 18.8 mmt85 -126.67 -113.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.54 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER 55.85 164.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 9' ' ' GLY . 2.9 p30 -162.27 144.44 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.8 OUTLIER -56.22 -7.39 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 7' ' ' ASP . . . -64.59 -65.91 2.75 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.77 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 3.4 p90 -153.24 149.63 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.817 ' H ' ' H ' ' B' ' 11' ' ' GLU . 69.3 mm-40 -155.46 156.6 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.927 ' O ' ' HB ' ' B' ' 12' ' ' VAL . 6.5 t 95.99 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 13.1 p80 -129.44 163.67 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 33.9 m80 -164.2 -118.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.643 ' O ' ' CE1' ' B' ' 14' ' ' HIS . 7.7 pt20 -179.8 161.78 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' B' ' 14' ' ' HIS . 79.0 mttt 58.86 -105.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.541 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.786 ' CA ' ' HE2' ' B' ' 14' ' ' HIS . 0.3 OUTLIER -148.44 144.3 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.674 ' CG2' ' H ' ' A' ' 19' ' ' PHE . 5.4 p 176.08 -174.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -159.33 158.12 31.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -157.52 156.36 31.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.94 107.74 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' B' ' 22' ' ' GLU . 1.4 pt-20 176.57 158.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 1.6 t70 -81.6 139.66 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 3.2 p -76.77 155.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -57.43 4.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -147.68 164.9 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -131.1 104.52 7.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' B' ' 27' ' ' ASN . 8.3 ptpt -142.71 96.31 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.79 -178.25 19.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' B' ' 30' ' ' ALA . . . -69.29 -78.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.2 mt -147.68 146.83 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.29 146.85 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 149.05 20.84 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.84 150.06 29.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.71 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 tpt -149.23 146.59 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.312 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 15.7 m -150.84 150.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.1 149.05 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 150.64 22.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m -123.77 135.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.618 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.415 ' O ' ' OXT' ' B' ' 40' ' ' VAL . 8.8 p . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.86 -76.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -112.17 158.18 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' B' ' 4' ' ' PHE . 6.6 p90 -136.63 -167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 59.48 154.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -73.43 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.57 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.5 OUTLIER -158.66 135.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.894 ' HA2' ' H ' ' C' ' 9' ' ' GLY . . . -149.27 148.61 20.14 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 1.175 ' O ' ' O ' ' C' ' 10' ' ' TYR . 40.6 m-85 -145.41 143.09 29.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.392 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.918 ' HA ' ' O ' ' C' ' 10' ' ' TYR . 40.5 tt0 -146.62 147.04 30.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.927 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.0 m -109.2 160.05 8.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.483 ' H ' ' HA ' ' A' ' 13' ' ' HIS . 2.0 t60 -165.83 147.23 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.786 ' HE2' ' CA ' ' A' ' 17' ' ' LEU . 5.6 t60 -168.99 -165.54 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.624 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 30.4 tt0 -131.26 -119.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.433 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' B' ' 15' ' ' GLN . 6.0 mptp? -20.92 -83.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.88 145.91 27.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.208 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.449 ' CG2' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -151.58 150.99 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -147.19 146.07 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.264 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.922 ' O ' ' HB2' ' C' ' 20' ' ' PHE . 51.1 m-85 -150.21 148.07 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.656 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' B' ' 22' ' ' GLU . . . -149.57 122.83 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER 171.55 172.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.742 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' C' ' 27' ' ' ASN . 2.2 p30 -110.8 148.39 32.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.482 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' C' ' 25' ' ' GLY . 1.4 m -81.05 166.27 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.18 -88.98 1.37 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' C' ' 26' ' ' SER . 6.3 p -149.71 175.95 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' B' ' 28' ' ' LYS . 1.8 t30 -123.16 151.03 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.67 ' NZ ' ' HZ3' ' C' ' 28' ' ' LYS . 36.9 mttt -111.11 -169.98 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.654 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.08 91.63 0.16 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -148.42 -174.04 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.88 142.8 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.19 144.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.72 151.43 23.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' O ' ' C' ' 34' ' ' LEU . 0.4 OUTLIER -167.04 166.21 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.075 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptm -153.58 152.36 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.461 ' H ' HG12 ' A' ' 36' ' ' VAL . 33.6 m -151.53 150.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.33 151.46 23.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.15 147.39 17.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.42 145.92 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.415 ' OXT' ' O ' ' A' ' 40' ' ' VAL . 5.6 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' C' ' 2' ' ' ALA . 12.2 p-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' C' ' 1' ' ' ASP . . . 48.75 21.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -136.6 172.35 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -151.77 -151.12 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -80.77 146.59 30.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' B' ' 8' ' ' SER . 78.0 m-70 51.54 91.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.607 ' O ' ' C ' ' C' ' 8' ' ' SER . 0.3 OUTLIER -96.14 -161.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.453 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.5 OUTLIER -21.6 108.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.923 ' O ' ' O ' ' D' ' 9' ' ' GLY . . . -63.34 -67.55 2.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 1.175 ' O ' ' O ' ' B' ' 10' ' ' TYR . 1.8 m-85 -151.67 149.49 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' B' ' 11' ' ' GLU . 3.1 pt-20 -156.47 157.82 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.217 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.909 ' H ' HG11 ' B' ' 12' ' ' VAL . 3.3 t 88.72 29.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -95.16 77.53 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.557 ' HE2' ' CG2' ' D' ' 18' ' ' VAL . 10.0 p80 -108.3 -146.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' C' ' 16' ' ' LYS . 66.9 mt-30 -150.09 -94.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' C' ' 15' ' ' GLN . 0.3 OUTLIER -33.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.592 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.98 144.97 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.36 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' C' ' 20' ' ' PHE . 41.9 t -155.68 154.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.586 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -161.8 159.89 27.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.922 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER 163.47 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' C' ' 20' ' ' PHE . . . -137.06 121.55 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.415 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -120.76 136.9 54.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.09 142.28 26.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' C' ' 25' ' ' GLY . 3.8 p -75.55 166.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' C' ' 24' ' ' VAL . . . 73.28 -165.73 54.75 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 26' ' ' SER . 13.5 p -101.46 161.21 13.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.525 ' N ' ' OD2' ' B' ' 23' ' ' ASP . 22.7 t-20 -77.52 133.66 38.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.67 ' HZ3' ' NZ ' ' B' ' 28' ' ' LYS . 2.0 mmmt -87.94 177.06 7.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.33 92.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.448 ' HB1' ' H ' ' D' ' 30' ' ' ALA . . . -157.19 -162.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.67 144.69 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mt -148.43 146.98 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.605 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -148.72 146.11 15.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.3 OUTLIER -149.9 149.82 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.693 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -150.33 147.65 27.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.531 HG13 ' H ' ' D' ' 36' ' ' VAL . 31.0 m -151.29 150.86 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.74 149.63 21.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.36 148.35 19.47 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 40' ' ' VAL . 11.0 m -116.44 149.57 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 39' ' ' VAL . 21.9 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.63 6.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -94.56 48.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -67.79 -169.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.615 ' N ' ' NE ' ' D' ' 5' ' ' ARG . 4.5 mmp_? -47.65 125.19 8.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.439 ' ND1' ' C ' ' D' ' 6' ' ' HIS . 0.0 OUTLIER -173.43 -169.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -157.42 41.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 15.0 m -51.23 145.97 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.923 ' O ' ' O ' ' C' ' 9' ' ' GLY . . . -153.69 151.0 22.79 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.748 ' HA ' ' HA ' ' C' ' 10' ' ' TYR . 0.8 OUTLIER -144.35 146.8 32.77 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' E' ' 11' ' ' GLU . 37.2 tt0 -147.3 145.53 29.4 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.871 ' H ' ' H ' ' E' ' 12' ' ' VAL . 0.7 OUTLIER -118.29 161.33 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 110.349 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.673 ' CD2' ' N ' ' D' ' 14' ' ' HIS . 43.7 t60 -88.23 170.95 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.673 ' N ' ' CD2' ' D' ' 13' ' ' HIS . 48.0 p-80 -138.59 105.63 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.59 -56.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.58 ' O ' ' CB ' ' E' ' 17' ' ' LEU . 4.5 tttm -120.86 -83.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 1.139 ' HA ' ' O ' ' E' ' 17' ' ' LEU . 2.0 pp -149.86 147.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.557 ' CG2' ' HE2' ' C' ' 14' ' ' HIS . 1.4 p -150.17 149.76 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.873 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 54.8 t80 -152.74 149.82 28.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' E' ' 20' ' ' PHE . 6.1 p90 174.35 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.474 . . . . 0.0 111.249 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.21 124.51 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -113.61 116.25 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.793 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -141.89 129.76 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.149 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -94.67 -169.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.539 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.499 ' N ' ' CG1' ' C' ' 24' ' ' VAL . . . 64.81 -169.7 25.59 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -92.51 132.59 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.42 -179.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.431 ' H ' ' HD3' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -125.67 162.55 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.38 92.59 0.5 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.448 ' H ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.34 -148.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.546 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.404 ' H ' ' HB1' ' D' ' 30' ' ' ALA . 19.2 mt -145.6 145.11 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -148.57 147.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.04 147.07 17.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mp -149.56 147.91 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.1 ptm -149.51 147.42 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.4 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.531 ' H ' HG13 ' C' ' 36' ' ' VAL . 32.4 m -153.76 152.93 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.38 153.1 24.58 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.3 147.43 17.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.71 135.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 110.555 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.537 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' E' ' 1' ' ' ASP . 2.7 m-20 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.42 116.66 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' E' ' 4' ' ' PHE . 33.8 tt0 -157.35 154.36 28.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . 0.53 ' CD2' ' O ' ' E' ' 3' ' ' GLU . 68.5 m-85 -153.63 -158.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' E' ' 6' ' ' HIS . 80.4 mtp180 -94.53 -170.11 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . 0.606 ' ND1' ' N ' ' E' ' 7' ' ' ASP . 1.4 t-80 59.53 136.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . 0.606 ' N ' ' ND1' ' E' ' 6' ' ' HIS . 1.2 m-20 -56.64 -168.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 58.6 m -172.14 -10.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 0.478 ' HA3' ' CE1' ' D' ' 10' ' ' TYR . . . -154.39 153.96 25.18 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.579 ' CB ' ' O ' ' D' ' 10' ' ' TYR . 4.4 m-85 -153.33 152.04 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.671 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.648 ' CB ' HG12 ' D' ' 12' ' ' VAL . 0.9 OUTLIER -147.55 144.39 28.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.19 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.871 ' H ' ' H ' ' D' ' 12' ' ' VAL . 0.4 OUTLIER 67.43 132.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.72 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -111.13 -1.25 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.558 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 15.8 t60 -147.44 -136.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.558 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 9.0 pt20 -167.74 124.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 tttt 178.11 90.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 1.139 ' O ' ' HA ' ' D' ' 17' ' ' LEU . 4.1 mt 59.82 70.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 m -153.4 149.98 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.873 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 18.9 m-85 -159.33 157.76 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.61 -170.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.54 100.6 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.529 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CE2' ' E' ' 20' ' ' PHE . 13.7 mt-10 -101.58 90.92 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -134.22 151.67 51.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.87 172.25 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.35 -134.05 20.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' E' ' 27' ' ' ASN . 8.0 t -127.63 171.67 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.551 ' H ' ' HG ' ' E' ' 26' ' ' SER . 1.8 m-20 -77.0 170.1 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.493 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -124.02 72.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.22 160.97 23.39 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' D' ' 30' ' ' ALA . . . -84.33 -17.92 37.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 pt -149.93 146.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mm -148.38 146.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.325 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.23 148.61 20.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -151.53 149.29 29.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -151.95 149.96 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.483 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 m -156.1 155.36 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.44 153.84 25.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.95 151.6 23.37 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.35 160.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.603 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.93 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' F' ' 25' ' ' GLY . 87.2 tt0 -172.49 150.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.57 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -59.29 170.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . 0.453 ' O ' ' ND1' ' F' ' 6' ' ' HIS . 84.5 mtm-85 -117.98 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' F' ' 5' ' ' ARG . 9.9 m80 -139.9 -105.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.0 48.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.173 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 62.1 p -158.1 -56.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.98 -67.22 2.17 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.576 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 60.9 m-85 -63.45 -70.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.415 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.719 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 5.5 pt-20 -150.35 147.43 27.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.119 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' GLU . 7.4 p -101.44 129.43 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.711 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 20.7 p80 -168.26 -173.53 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 3.9 m80 -177.05 -6.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.498 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.5 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 20.4 mt-30 63.02 167.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 59.91 -117.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.763 ' O ' ' CG1' ' F' ' 18' ' ' VAL . 2.2 pp -148.81 145.21 27.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.014 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.763 ' CG1' ' O ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER 164.83 -162.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.059 0.456 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.725 ' HD2' ' H ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -153.7 152.84 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.46 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.839 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 20.6 m-85 -155.46 154.38 31.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 120.08 36.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' G' ' 23' ' ' ASP . 12.0 mp0 -86.34 122.86 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.66 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 25.3 t0 -149.66 102.83 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.481 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 4.6 p -50.39 143.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OE1' ' F' ' 3' ' ' GLU . . . 66.09 -164.04 40.74 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 p -96.51 167.03 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -74.89 132.14 41.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' F' ' 30' ' ' ALA . 43.8 mmtt -84.49 -161.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.473 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.19 77.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' F' ' 28' ' ' LYS . . . -151.42 -168.72 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 mt -146.06 144.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -149.58 148.16 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.633 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.69 20.15 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.28 148.95 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.578 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -149.61 147.93 28.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -147.89 147.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.567 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.21 149.18 20.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.03 157.05 27.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -128.65 140.59 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.635 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.76 -54.73 11.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -103.11 22.11 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 43.21 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -79.68 107.25 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -78.13 -100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.8 32.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 50.9 m -75.89 172.74 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.79 148.75 20.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.576 ' HA ' ' O ' ' F' ' 10' ' ' TYR . 4.3 p90 -151.28 148.45 28.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.528 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.719 ' H ' ' HA ' ' F' ' 11' ' ' GLU . 9.3 mt-10 -148.34 148.54 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.258 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 t -97.21 146.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -164.67 87.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -108.73 -152.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -135.23 -78.95 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 20.1 mtpp -74.54 -82.0 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -146.63 145.07 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.444 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.64 146.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.73 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -156.48 155.09 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.839 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 20.9 p90 168.23 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.96 152.91 37.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.581 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.611 ' HB3' ' H ' ' H' ' 23' ' ' ASP . 26.4 tt0 -118.05 100.58 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.66 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 32.5 t0 -126.42 100.1 6.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.264 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.414 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.6 m -123.76 -169.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.481 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 84.95 -82.94 1.65 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.8 m -154.82 107.46 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -83.54 119.47 24.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -92.11 -174.67 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.41 100.81 0.56 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.37 -164.98 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.579 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 mt -145.69 144.88 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.197 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.33 145.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.77 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.634 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 1.1 pt? -155.08 153.26 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.758 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mtm -148.79 148.25 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.316 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.469 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.02 147.07 17.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.21 148.21 19.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.25 142.21 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 110.529 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.512 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 -48.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.52 140.55 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -156.15 -27.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -85.3 95.84 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 0.0 OUTLIER -61.68 -9.04 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.625 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -50.31 -32.67 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 3.5 m -52.9 149.2 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' H' ' 10' ' ' TYR . . . -153.55 151.87 23.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 0.1 OUTLIER -151.96 152.07 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.759 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 0.551 ' OE1' ' ND1' ' H' ' 13' ' ' HIS . 4.8 tm-20 -156.46 153.68 29.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.639 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.36 119.72 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.551 ' ND1' ' OE1' ' H' ' 11' ' ' GLU . 1.0 OUTLIER -68.31 -140.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.446 ' HA ' ' CD2' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -134.73 151.89 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.619 ' H ' ' CE1' ' I' ' 14' ' ' HIS . 0.2 OUTLIER 176.12 105.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' I' ' 16' ' ' LYS . 8.7 tttt 31.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.2 pp -145.39 143.24 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.545 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 0.2 OUTLIER -148.22 146.58 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.484 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.9 OUTLIER -156.11 152.87 28.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.741 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.557 ' HB3' ' H ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 168.29 -166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.77 108.89 12.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.272 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -86.55 101.3 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.64 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.611 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 37.7 t0 -124.97 117.04 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.511 ' H ' HG11 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -121.02 -176.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -92.31 1.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -153.79 132.26 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -81.32 178.07 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.4 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -132.02 165.78 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 97.08 1.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' H ' ' H' ' 31' ' ' ILE . . . -157.72 -144.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.545 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.468 ' H ' ' HB3' ' H' ' 30' ' ' ALA . 20.0 mt -145.86 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.271 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.04 145.51 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.483 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.455 ' C ' ' CD1' ' H' ' 34' ' ' LEU . . . -150.27 147.48 17.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' H' ' 33' ' ' GLY . 6.0 mp -149.2 148.41 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 21.1 ttt -149.03 145.98 27.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.187 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -158.49 157.8 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.15 156.63 27.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.79 148.82 20.38 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.61 145.64 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.553 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -80.89 148.03 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' I' ' 2' ' ' ALA . 23.8 mt-10 58.72 152.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.593 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.49 -120.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -138.59 -10.7 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 1.5 m80 -98.98 -167.56 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' CE1' ' J' ' 10' ' ' TYR . 4.6 m-20 -74.6 138.44 42.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.449 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 4.1 t -89.28 25.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.12 70.06 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' J' ' 10' ' ' TYR . 77.0 t80 -142.55 141.8 32.09 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.619 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 5.9 pt-20 -152.35 149.05 28.21 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.495 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.7 ' H ' ' H ' ' J' ' 12' ' ' VAL . 5.9 m -129.34 120.55 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -141.73 97.57 3.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' I' ' 15' ' ' GLN . 60.1 t-80 -108.2 170.41 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.806 ' N ' ' ND1' ' I' ' 14' ' ' HIS . 7.6 tt0 -90.58 -105.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 6.8 mmtt -34.45 -90.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' I' ' 17' ' ' LEU . 0.7 OUTLIER -147.66 145.68 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.538 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.402 HG22 ' CE2' ' I' ' 20' ' ' PHE . 14.7 p -147.33 145.83 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.549 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.554 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 3.0 t80 -153.87 150.5 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.334 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.584 ' CD1' ' OE2' ' I' ' 22' ' ' GLU . 0.3 OUTLIER 175.15 -173.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.054 0.454 . . . . 0.0 111.305 179.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.28 124.41 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.584 ' OE2' ' CD1' ' I' ' 20' ' ' PHE . 9.3 mp0 -99.45 103.82 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.428 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 56.5 t0 -122.52 115.45 22.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.469 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.572 HG12 ' H ' ' I' ' 25' ' ' GLY . 0.3 OUTLIER -140.8 -163.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.572 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 77.73 -80.9 1.29 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -149.01 109.43 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . 0.428 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -84.54 173.04 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 156.7 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.63 87.73 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' J' ' 30' ' ' ALA . . . -146.94 -123.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.591 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 mt -145.26 144.03 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.244 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.04 145.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' I' ' 34' ' ' LEU . . . -151.7 148.86 20.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.437 ' CD1' ' C ' ' I' ' 33' ' ' GLY . 5.7 mp -150.32 149.89 30.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.438 ' O ' ' HA ' ' J' ' 35' ' ' MET . 50.5 mtt -150.94 147.71 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.428 HG11 ' O ' ' I' ' 35' ' ' MET . 18.3 m -154.35 154.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.65 152.07 23.73 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.12 149.19 20.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.43 134.41 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.515 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' J' ' 2' ' ' ALA . 20.2 t0 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . 0.453 ' H ' ' CG ' ' J' ' 1' ' ' ASP . . . -73.39 -4.67 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.49 78.51 6.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.0 107.87 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 46.59 -102.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . 0.484 ' ND1' ' O ' ' J' ' 6' ' ' HIS . 17.1 p80 -175.25 107.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -159.85 -114.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.172 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.7 OUTLIER 72.48 32.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . 0.693 ' N ' ' H ' ' I' ' 8' ' ' SER . . . 159.28 -157.54 28.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' I' ' 10' ' ' TYR . 0.2 OUTLIER -157.11 156.25 32.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.555 ' HA ' ' H ' ' I' ' 12' ' ' VAL . 0.0 OUTLIER -146.55 143.11 28.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.7 ' H ' ' H ' ' I' ' 12' ' ' VAL . 0.9 OUTLIER -97.97 -141.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.628 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 0.1 OUTLIER 153.43 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.506 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 1.3 m170 163.03 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.565 ' O ' ' C ' ' J' ' 16' ' ' LYS . 10.2 mp0 60.45 -165.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' J' ' 15' ' ' GLN . 3.5 tmtt? -23.23 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.439 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 4.6 tp -152.53 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.47 148.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.511 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 36.2 t80 -151.77 149.11 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.11 160.51 30.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.41 113.85 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.424 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -91.61 103.79 16.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.22 114.77 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.4 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.551 HG12 ' H ' ' J' ' 25' ' ' GLY . 0.5 OUTLIER -148.89 176.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.543 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.551 ' H ' HG12 ' J' ' 24' ' ' VAL . . . 95.85 -93.53 1.57 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -138.57 105.62 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 110.515 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.613 HD21 ' N ' ' J' ' 27' ' ' ASN . 0.9 OUTLIER -92.99 175.94 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.466 ' HD2' ' H ' ' J' ' 28' ' ' LYS . 0.1 OUTLIER -99.92 151.31 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.92 104.17 3.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -165.49 -111.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.44 146.15 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.41 HG23 HD12 ' J' ' 32' ' ' ILE . 18.5 mm -147.03 145.39 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.222 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 149.31 21.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -149.61 148.06 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.445 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.438 ' HA ' ' O ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -151.47 148.52 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -155.84 155.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.653 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 153.89 25.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.47 149.62 21.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.0 153.54 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.598 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.173 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.172 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.96 31.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 51.5 -155.74 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.05 63.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 6' ' ' HIS . 83.1 mtt180 -149.58 145.74 26.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.674 ' H ' ' CB ' ' A' ' 10' ' ' TYR . 94.3 m-70 57.48 134.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 44.8 43.31 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 1.3 p 168.72 76.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.46 68.61 1.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.674 ' CB ' ' H ' ' A' ' 6' ' ' HIS . 4.7 t80 -157.39 156.55 32.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.32 152.91 30.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.28 133.16 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -158.68 139.95 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.622 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 1.3 t60 -170.53 -154.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -130.45 -167.63 1.85 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 43.8 mttm 42.62 -105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.62 144.01 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.12 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -148.29 146.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.432 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -151.7 150.54 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.616 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.811 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 41.8 m-85 -155.03 153.74 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.29 114.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.62 173.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.784 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 26' ' ' SER . 2.9 t70 -90.8 125.24 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.454 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -103.82 119.84 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.31 -80.41 0.36 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 94.8 p -139.14 115.7 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.607 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -95.47 124.88 39.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -96.87 -165.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.468 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.69 87.4 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.67 -175.59 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.476 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.2 mt -145.81 144.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.188 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -148.97 146.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.17 148.96 20.75 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 1.6 pt? -149.88 147.87 28.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -148.01 145.59 28.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.585 ' N ' ' SD ' ' A' ' 35' ' ' MET . 16.0 m -149.76 149.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.95 148.27 19.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.68 149.49 21.34 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -115.88 136.15 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.613 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.44 -73.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -104.15 -178.62 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -52.45 154.81 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -71.52 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -69.9 -170.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.85 159.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 9.3 t -62.61 -25.38 68.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.94 68.98 1.45 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -144.71 142.85 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -149.44 148.23 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.784 0.326 . . . . 0.0 110.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.0 m -126.39 137.94 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 176.92 144.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.622 ' ND1' ' N ' ' A' ' 14' ' ' HIS . 36.6 m-70 -139.28 -120.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -146.68 -50.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 19.3 mmtm -87.57 -91.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -145.8 144.09 30.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.288 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.451 ' CG1' ' CE2' ' B' ' 20' ' ' PHE . 42.8 t -153.06 150.37 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.517 ' C ' ' CG ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.89 158.82 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.811 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 171.6 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.171 0.51 . . . . 0.0 111.619 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 117.8 14.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.527 ' OE1' ' ND1' ' A' ' 6' ' ' HIS . 37.0 mm-40 -86.47 138.98 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 111.126 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.44 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 12.3 t70 -149.28 104.97 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.12 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.738 ' CG1' ' H ' ' B' ' 25' ' ' GLY . 3.5 t -136.39 -154.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.738 ' H ' ' CG1' ' B' ' 24' ' ' VAL . . . 76.09 -71.73 1.94 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -167.63 98.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.72 144.31 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -170.4 2.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 95.73 0.38 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 -168.1 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 mt -144.41 143.39 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.305 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -145.53 142.88 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.4 152.62 24.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 1.5 pt? -160.01 157.93 29.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.5 mtt -150.38 149.36 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.518 HG11 ' H ' ' C' ' 36' ' ' VAL . 24.6 m -151.91 151.12 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.717 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.16 152.51 24.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.11 150.69 22.59 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.81 142.7 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.616 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.436 ' H3 ' ' H ' ' C' ' 2' ' ' ALA . 2.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.436 ' H ' ' H3 ' ' C' ' 1' ' ' ASP . . . -152.33 166.8 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 49.55 59.9 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.41 -95.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.2 4.75 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.573 ' ND1' ' N ' ' C' ' 6' ' ' HIS . 0.3 OUTLIER -77.28 107.23 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.414 ' C ' ' OG ' ' C' ' 8' ' ' SER . 53.0 m-20 -68.48 -42.54 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.1 OUTLIER 63.29 123.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.738 ' H ' ' H ' ' B' ' 8' ' ' SER . . . -150.17 147.11 16.95 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' C' ' 10' ' ' TYR . 0.1 OUTLIER -148.47 147.74 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.634 0.254 . . . . 0.0 110.363 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.18 149.99 30.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.728 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 m -110.57 141.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.32 -159.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.669 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' C' ' 15' ' ' GLN . 15.1 p-80 -77.73 165.58 24.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.573 ' CB ' ' O ' ' C' ' 14' ' ' HIS . 12.3 tt0 154.84 136.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.525 ' C ' ' O ' ' C' ' 15' ' ' GLN . 12.1 tptt -29.86 -76.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.24 142.96 29.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.124 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 146.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' D' ' 19' ' ' PHE . 3.6 t80 -153.35 150.6 29.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 18.5 p90 176.15 -175.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.462 . . . . 0.0 111.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.87 126.76 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.329 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.1 102.08 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.588 ' OD1' ' OG ' ' D' ' 26' ' ' SER . 2.2 t70 -121.82 95.67 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.325 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.57 ' CG2' ' N ' ' C' ' 25' ' ' GLY . 2.6 p -141.29 166.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.62 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.57 ' N ' ' CG2' ' C' ' 24' ' ' VAL . . . 113.07 -79.95 0.27 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 38.8 p -156.23 105.97 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.596 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 8.5 t-20 -72.46 167.29 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.596 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -138.61 162.15 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.72 76.11 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -134.63 -159.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 110.69 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' D' ' 31' ' ' ILE . 12.6 mt -145.44 146.7 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.39 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.617 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -146.0 141.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.485 ' HA3' HG13 ' D' ' 32' ' ' ILE . . . -144.68 144.76 13.68 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.638 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -150.62 148.21 28.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.467 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.465 ' SD ' ' C ' ' C' ' 34' ' ' LEU . 3.7 mpp? -146.44 146.76 30.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.977 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.893 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.7 OUTLIER -151.35 148.43 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.41 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -153.76 152.84 24.39 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . 0.621 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -149.24 147.81 18.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' C' ' 40' ' ' VAL . 2.8 m -125.52 140.89 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.581 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' D' ' 40' ' ' VAL . 15.8 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.11 -6.06 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' D' ' 3' ' ' GLU . 48.6 mp0 -143.51 -151.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -141.7 -125.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.578 ' O ' ' CG ' ' D' ' 6' ' ' HIS . 0.0 OUTLIER -155.84 93.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.649 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' D' ' 5' ' ' ARG . 27.2 m-70 -164.34 77.33 0.35 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . 0.515 ' O ' ' O3P' ' E' ' 101' ' ' 2PO . 5.9 m-20 56.52 -176.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 1.1 p -133.3 -6.99 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 1.116 ' CA ' ' H ' ' E' ' 9' ' ' GLY . . . 65.59 67.55 1.98 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 1.161 ' O ' ' O ' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -147.81 144.61 28.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.801 ' CA ' ' O ' ' E' ' 10' ' ' TYR . 1.8 pm0 -143.56 143.9 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.573 ' H ' ' HB2' ' E' ' 11' ' ' GLU . 4.3 m -121.19 134.4 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.684 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' D' ' 13' ' ' HIS . 17.9 t-160 -148.76 53.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' D' ' 14' ' ' HIS . 9.2 p80 -75.6 -144.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -150.55 -37.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.655 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' E' ' 16' ' ' LYS . 10.7 mmtm -92.6 -98.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.7 143.88 30.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.213 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.12 147.66 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 0.0 110.633 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 1.6 t80 -152.82 149.76 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.509 ' H ' ' HB3' ' E' ' 20' ' ' PHE . 0.5 OUTLIER 171.56 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.83 116.98 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -109.11 118.25 36.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.611 ' N ' ' O3P' ' D' ' 101' ' ' 2PO . 6.3 t70 -147.06 138.58 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' D' ' 24' ' ' VAL . 7.4 p -71.75 111.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' C' ' 24' ' ' VAL . . . 125.96 -146.94 16.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.588 ' OG ' ' OD1' ' C' ' 23' ' ' ASP . 3.7 m -139.63 173.56 11.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.593 ' O ' ' O ' ' D' ' 28' ' ' LYS . 24.9 m120 -57.53 107.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.291 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.637 ' O ' ' O ' ' D' ' 29' ' ' GLY . 59.4 mmtt -51.79 -156.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.456 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.637 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -37.38 170.56 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -22.8 139.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.532 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' C' ' 31' ' ' ILE . 3.8 mt -163.82 161.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.553 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' E' ' 32' ' ' ILE . 3.6 tt 156.4 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 1.055 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 66.23 70.31 1.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.594 -0.603 . . . . 0.0 111.594 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -144.83 141.06 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.912 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.1 tmt? -157.51 156.91 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.893 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 11.6 m -158.42 158.88 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.676 ' O ' ' HA3' ' E' ' 37' ' ' GLY . . . -154.87 152.3 23.86 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.621 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -154.08 152.76 24.31 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.01 164.66 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' C' ' 40' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.57 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.56 -167.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' D' ' 6' ' ' HIS . 13.8 tt0 69.23 115.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -129.75 -178.99 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -92.21 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.542 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -169.65 59.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t0 52.41 91.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.1 OUTLIER -156.08 165.13 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.416 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 1.116 ' H ' ' CA ' ' D' ' 9' ' ' GLY . . . 64.78 69.98 1.2 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 1.161 ' O ' ' O ' ' D' ' 10' ' ' TYR . 62.0 m-85 -146.21 142.81 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.723 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.3 OUTLIER -145.66 144.97 30.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.412 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' E' ' 13' ' ' HIS . 3.4 t -73.33 -55.76 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 110.75 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.562 ' CD2' ' H ' ' E' ' 14' ' ' HIS . 6.6 t60 83.56 -146.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.464 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.562 ' H ' ' CD2' ' E' ' 13' ' ' HIS . 3.1 t-160 71.77 -145.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.505 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 10.1 mm100 60.56 -176.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' D' ' 16' ' ' LYS . 0.0 OUTLIER -39.41 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 tp -146.35 144.02 29.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.555 ' CG2' ' CE2' ' E' ' 20' ' ' PHE . 0.7 OUTLIER -148.12 146.01 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.433 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 57.1 t80 -155.68 153.19 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.555 ' CE2' ' CG2' ' E' ' 18' ' ' VAL . 0.1 OUTLIER 175.98 -175.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.135 0.493 . . . . 0.0 111.244 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 107.38 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.53 73.22 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 5.5 t70 -106.14 118.75 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.076 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.441 HG23 ' N ' ' E' ' 25' ' ' GLY . 0.9 OUTLIER -112.6 -172.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.479 ' O ' ' CG1' ' D' ' 24' ' ' VAL . . . 79.31 -101.51 1.87 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.594 ' HG ' ' N ' ' E' ' 27' ' ' ASN . 5.8 t -136.26 175.39 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.594 ' N ' ' HG ' ' E' ' 26' ' ' SER . 0.6 OUTLIER -126.8 -173.81 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.644 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -97.3 136.94 37.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.8 113.76 4.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 170.16 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.539 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.486 ' HA ' ' HA ' ' D' ' 31' ' ' ILE . 59.6 mt -147.96 145.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.895 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' D' ' 32' ' ' ILE . 47.6 mt -145.49 147.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.537 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.713 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -156.19 152.35 23.77 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' D' ' 34' ' ' LEU . 1.6 mt -153.88 154.47 33.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.682 0.277 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.912 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -150.07 144.85 26.02 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.689 ' O ' ' HA ' ' D' ' 36' ' ' VAL . 0.0 OUTLIER 168.08 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.018 0.437 . . . . 0.0 110.754 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.676 ' HA3' ' O ' ' D' ' 37' ' ' GLY . . . 168.26 -166.99 39.91 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.99 155.43 26.29 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.91 141.19 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.612 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.547 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.62 -162.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' F' ' 3' ' ' GLU . 1.2 pm0 -156.66 150.95 25.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' F' ' 3' ' ' GLU . 54.3 m-85 55.85 115.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.57 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.29 -36.45 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -60.11 -168.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . 0.503 ' OD2' ' CE1' ' G' ' 6' ' ' HIS . 13.9 t70 -44.47 129.58 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.2 OUTLIER -73.49 105.24 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.519 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' G' ' 9' ' ' GLY . . . -150.21 148.51 19.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.43 150.06 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -150.89 149.32 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -121.59 158.04 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -174.69 142.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.456 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 3.3 t-80 -170.28 -161.15 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' F' ' 17' ' ' LEU . 12.1 pt20 -125.36 -167.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 59.5 mttm 39.27 -93.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -146.53 144.63 29.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.093 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.17 148.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -154.49 153.5 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.526 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.716 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 32.5 m-85 -157.96 157.67 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.84 114.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -178.1 172.62 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 17.5 t70 -98.79 134.18 42.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 t -97.27 132.55 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.9 -85.63 0.4 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.438 ' HG ' ' HZ3' ' F' ' 28' ' ' LYS . 30.4 t -143.73 117.41 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -84.07 133.93 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' F' ' 28' ' ' LYS . 10.3 mptt -93.01 -173.0 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.79 87.61 0.21 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.97 -171.05 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.416 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.4 HD11 HG23 ' F' ' 31' ' ' ILE . 64.2 mt -145.32 144.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.253 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.464 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.42 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -152.47 150.55 22.38 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' F' ' 34' ' ' LEU . 1.1 pt? -158.53 156.95 31.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttt -150.92 148.97 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.473 HG11 ' CE1' ' F' ' 19' ' ' PHE . 15.7 m -150.05 149.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.696 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.68 149.76 21.45 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.37 151.86 23.65 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.12 123.09 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.626 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.1 -144.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 54.58 80.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -63.93 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' G' ' 6' ' ' HIS . 15.4 mmm180 56.53 -177.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.3 OUTLIER -60.8 -132.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . 0.585 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 23.5 t0 -160.12 166.37 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.7 OUTLIER 56.61 -127.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' F' ' 9' ' ' GLY . . . 62.69 68.41 1.68 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' G' ' 10' ' ' TYR . 15.6 p90 -152.82 151.16 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -151.56 151.15 31.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.546 ' O ' ' ND1' ' H' ' 13' ' ' HIS . 5.5 m -125.17 119.31 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.483 ' C ' ' CG ' ' G' ' 14' ' ' HIS . 1.1 p80 -131.61 150.34 52.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.483 ' CG ' ' C ' ' G' ' 13' ' ' HIS . 0.5 OUTLIER 168.91 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -130.84 -166.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.591 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 32.3 mmtm 57.2 -109.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.651 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.6 143.06 30.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.507 ' H ' HG21 ' H' ' 18' ' ' VAL . 90.4 t -150.63 149.19 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.793 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -157.95 155.21 29.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.716 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 174.24 -173.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.18 0.514 . . . . 0.0 111.408 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.85 113.55 13.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.036 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -86.56 123.8 32.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 47.4 t0 -138.55 110.49 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.275 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.582 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 5.8 t -134.77 -178.66 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.552 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.582 ' H ' ' CG1' ' G' ' 24' ' ' VAL . . . 95.33 -71.66 0.99 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -171.03 110.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.613 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.53 148.23 31.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.49 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 178.82 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.43 92.59 0.42 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' H ' ' H' ' 30' ' ' ALA . . . -147.65 -165.56 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.47 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -145.3 144.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.4 144.62 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.315 . . . . 0.0 110.345 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' F' ' 33' ' ' GLY . . . -149.23 147.31 17.59 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.02 150.98 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -148.88 146.09 27.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.196 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.4 HG11 ' H ' ' H' ' 36' ' ' VAL . 35.0 m -150.5 150.19 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.23 150.09 21.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.95 148.13 19.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' G' ' 40' ' ' VAL . 76.7 t -115.14 160.77 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.331 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.456 ' N ' ' CG1' ' G' ' 39' ' ' VAL . 11.0 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' H' ' 4' ' ' PHE . . . -79.34 -168.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' G' ' 25' ' ' GLY . 4.5 mm-40 56.28 5.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' H' ' 2' ' ' ALA . 35.4 t80 49.41 -119.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 32.2 ptt85 -177.45 73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.592 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 6.9 t-160 -156.04 -138.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . 0.592 ' H ' ' CG ' ' H' ' 6' ' ' HIS . 37.4 t0 -62.96 150.71 41.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 15.9 m -167.18 104.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 0.41 ' H ' ' HB2' ' G' ' 8' ' ' SER . . . -160.9 159.7 31.28 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' CD2' ' I' ' 10' ' ' TYR . 14.3 p90 -157.97 156.24 30.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.803 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.08 149.14 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 m -125.12 155.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.731 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -162.75 143.79 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -154.95 -153.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' H' ' 16' ' ' LYS . 65.4 mt-30 -140.29 -113.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' H' ' 15' ' ' GLN . 0.2 OUTLIER -22.89 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.47 HD21 ' H ' ' H' ' 18' ' ' VAL . 0.4 OUTLIER -148.78 145.79 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.418 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.507 HG21 ' H ' ' G' ' 18' ' ' VAL . 17.5 t -152.87 151.17 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.782 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.495 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.8 OUTLIER -156.91 155.51 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.518 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.496 ' CD2' ' CE2' ' G' ' 20' ' ' PHE . 0.2 OUTLIER 174.74 -173.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 111.297 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 120.92 21.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.208 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -94.49 102.47 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.404 ' CG ' HD22 ' H' ' 27' ' ' ASN . 55.2 t0 -119.3 113.76 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.315 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.592 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 8.5 p -145.7 -179.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.597 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.592 ' H ' ' CG2' ' H' ' 24' ' ' VAL . . . 97.18 -74.76 0.68 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -161.86 104.82 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.404 HD22 ' CG ' ' H' ' 23' ' ' ASP . 0.8 OUTLIER -77.25 178.97 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 171.32 14.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.58 91.35 0.86 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' I' ' 30' ' ' ALA . . . -148.53 -153.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.411 ' H ' ' HB1' ' H' ' 30' ' ' ALA . 16.8 mt -144.74 144.45 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.148 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.49 144.57 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HG ' ' H' ' 34' ' ' LEU . . . -149.45 147.25 17.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -147.38 146.26 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.391 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.5 ttt -147.88 145.55 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.447 HG12 ' H ' ' I' ' 36' ' ' VAL . 35.2 m -153.06 152.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.51 149.53 21.3 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 150.4 22.29 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 94.4 t -119.97 136.77 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.528 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' I' ' 2' ' ' ALA . 17.2 t0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . 0.516 ' H ' ' CG ' ' I' ' 1' ' ' ASP . . . -147.12 148.39 31.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' I' ' 4' ' ' PHE . 38.1 mt-10 48.73 80.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' I' ' 3' ' ' GLU . 50.2 m-85 -42.76 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' I' ' 6' ' ' HIS . 5.2 ptm180 -178.41 65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' I' ' 5' ' ' ARG . 73.4 m-70 -152.86 122.64 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' I' ' 6' ' ' HIS . 4.8 m-20 58.79 121.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 13.0 t -179.84 99.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . 0.561 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -153.07 150.61 22.39 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.561 ' CD2' ' O ' ' I' ' 9' ' ' GLY . 0.2 OUTLIER -148.81 148.29 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -148.81 147.32 28.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -127.36 122.87 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' J' ' 13' ' ' HIS . 6.8 t-80 -131.66 138.25 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.542 ' HB3' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -176.34 -168.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -132.34 -157.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 17.3 mmtp 49.39 -108.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.75 143.38 28.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.409 HG23 ' CG ' ' I' ' 14' ' ' HIS . 0.7 OUTLIER -149.71 149.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.811 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.517 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 32.3 t80 -152.77 149.71 28.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.153 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.8 p90 177.0 -176.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.121 0.486 . . . . 0.0 111.413 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.13 19.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.377 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -100.09 122.03 42.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.709 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -135.22 119.46 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' H ' ' I' ' 25' ' ' GLY . 3.5 t -143.71 178.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.5 ' H ' ' CG1' ' I' ' 24' ' ' VAL . . . 94.52 -90.36 1.31 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -148.59 109.65 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.729 0.299 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -82.19 -172.5 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.432 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -136.12 157.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 101.04 1.28 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' J' ' 30' ' ' ALA . . . -159.6 -140.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.627 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.454 ' H ' ' HB2' ' I' ' 30' ' ' ALA . 14.1 mt -145.58 145.37 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.222 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.42 145.24 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.236 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 149.4 21.23 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -149.16 147.73 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.518 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' J' ' 35' ' ' MET . 15.7 ptt? -149.6 146.9 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.447 ' H ' HG12 ' H' ' 36' ' ' VAL . 33.5 m -153.07 152.8 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.95 153.24 24.65 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.82 18.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.442 ' O ' ' OXT' ' I' ' 40' ' ' VAL . 0.3 OUTLIER -95.54 154.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.294 . . . . 0.0 110.599 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.442 ' OXT' ' O ' ' I' ' 39' ' ' VAL . 74.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.13 13.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' J' ' 4' ' ' PHE . 4.7 tp10 -64.72 -61.74 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' J' ' 3' ' ' GLU . 60.2 m-85 54.25 166.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -91.88 174.47 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' J' ' 7' ' ' ASP . 2.4 t-80 65.42 151.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . 0.613 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.8 m-20 64.44 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 14.2 p 60.22 91.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.5 148.71 20.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -149.04 148.22 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -150.62 149.15 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' J' ' 13' ' ' HIS . 3.0 p -120.71 160.1 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' I' ' 13' ' ' HIS . 25.6 m80 -161.4 89.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -106.36 -158.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -143.06 -33.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 11.4 mptt -98.61 -87.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.407 ' CD1' ' H ' ' J' ' 18' ' ' VAL . 0.1 OUTLIER -148.69 145.83 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.407 ' H ' ' CD1' ' J' ' 17' ' ' LEU . 16.2 m -151.65 150.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 2.9 m-85 -156.04 154.04 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.352 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.6 OUTLIER 174.48 -173.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 111.214 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 113.82 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.316 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -99.12 109.78 22.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -125.31 127.52 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.37 176.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.05 -100.51 2.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -139.72 118.36 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -94.51 174.39 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.616 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.527 ' H ' ' CD ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.73 145.4 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.62 105.91 2.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' I' ' 30' ' ' ALA . . . -167.48 -121.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 tt -145.73 144.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -148.43 146.87 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.4 148.84 20.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mt -150.4 148.09 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.39 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.19 149.97 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' J' ' 35' ' ' MET . 23.1 m -156.41 155.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.99 154.57 25.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.56 21.39 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.8 140.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.548 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.551 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' ALA . 17.2 p-10 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' ASP . . . 54.7 167.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' OE1' ' P ' ' A' ' 101' ' ' 2PO . 37.5 mt-10 -77.64 119.3 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' GLU . 77.8 m-85 -55.01 -167.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 62.04 121.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -44.1 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.95 167.6 21.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 4.0 t -158.92 164.22 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.22 152.93 24.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -149.61 148.14 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.6 149.15 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.32 149.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.658 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -175.86 148.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.671 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 2.8 m80 -176.92 -172.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.588 ' NE2' ' NZ ' ' A' ' 16' ' ' LYS . 9.8 pt20 -114.45 -174.07 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' NZ ' ' NE2' ' A' ' 15' ' ' GLN . 56.5 mttp 43.28 -100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.46 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 2.3 pt? -147.47 146.11 29.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -148.91 147.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -148.42 146.96 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.639 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 39.5 m-85 -157.33 155.71 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.803 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.03 101.44 3.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.29 171.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 4.1 p30 -102.07 147.28 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.52 -93.02 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -135.17 156.75 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.652 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -111.84 124.21 51.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -94.05 -167.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 90.9 0.24 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.83 -168.45 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -146.07 144.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 pt -148.97 147.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.525 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.95 147.9 18.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.673 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.41 147.7 28.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.47 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttp -148.95 147.06 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.14 147.37 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.55 149.68 21.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.53 152.74 24.32 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.24 128.69 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.575 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.92 175.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 45.5 44.27 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -46.55 -40.56 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.588 ' HE ' ' H ' ' B' ' 6' ' ' HIS . 10.3 ptm180 -164.28 -118.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.588 ' H ' ' HE ' ' B' ' 5' ' ' ARG . 43.5 m-70 54.46 164.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' B' ' 8' ' ' SER . 3.7 m-20 -88.25 159.3 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.173 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.2 m -167.66 140.96 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.519 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -158.17 156.59 27.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.519 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -154.33 154.45 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -152.72 150.31 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.485 ' CG2' ' HE2' ' C' ' 14' ' ' HIS . 10.7 m -116.76 137.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -150.18 107.8 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.745 ' CD2' ' H ' ' B' ' 15' ' ' GLN . 61.9 t60 -120.08 -173.8 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.745 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 28.3 mt-30 -116.41 -92.81 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.745 ' O ' ' HB2' ' C' ' 16' ' ' LYS . 1.3 mptm? -51.95 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 143.61 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.428 ' HB ' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -147.39 145.67 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.583 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -155.32 152.45 29.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.408 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.656 ' H ' ' HB3' ' C' ' 20' ' ' PHE . 0.8 OUTLIER 171.95 -171.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.166 0.508 . . . . 0.0 111.306 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 115.52 18.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -91.62 134.01 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.4 t70 -151.87 113.46 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.29 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -178.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.628 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.93 -95.71 2.11 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -158.09 120.24 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.11 151.09 35.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.58 175.69 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.91 98.84 0.65 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.96 -158.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.643 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -145.46 144.94 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.172 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -147.35 145.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.39 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.61 152.7 24.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 1.8 pt? -161.5 160.56 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.25 149.0 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' C' ' 36' ' ' VAL . 0.1 OUTLIER -147.49 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.49 150.18 22.06 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.79 150.02 21.85 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.82 145.88 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.508 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.405 ' H2 ' ' H ' ' C' ' 2' ' ' ALA . 2.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.405 ' H ' ' H2 ' ' C' ' 1' ' ' ASP . . . -170.94 -64.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -105.27 130.95 53.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -158.4 -46.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -67.91 -165.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -135.83 97.85 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -161.25 -15.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 19.1 p -82.09 142.38 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.69 148.21 19.29 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' B' ' 10' ' ' TYR . 87.4 t80 -147.03 145.07 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.692 0.282 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -152.41 150.9 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.65 139.61 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 0.514 ' C ' ' ND1' ' C' ' 13' ' ' HIS . 1.9 t-80 -167.93 120.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.489 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.554 ' ND1' ' N ' ' C' ' 14' ' ' HIS . 0.0 OUTLIER -141.5 -158.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.612 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' C' ' 16' ' ' LYS . 74.9 mt-30 -122.85 -166.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.745 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 8.7 mptt 35.33 -99.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.51 144.83 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' C' ' 20' ' ' PHE . 23.7 t -148.5 147.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -155.73 152.71 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.735 ' O ' ' HB2' ' D' ' 20' ' ' PHE . 0.0 OUTLIER 172.12 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 111.227 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.55 121.97 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -95.19 112.95 24.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' D' ' 27' ' ' ASN . 13.1 t70 -139.88 109.71 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.66 178.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.01 -96.63 2.18 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -147.53 141.54 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.621 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 6.0 t-20 -94.54 172.7 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.537 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -118.15 168.86 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.63 100.82 2.5 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.53 -140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.597 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mt -145.18 144.66 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.47 ' C ' ' CD1' ' C' ' 34' ' ' LEU . . . -148.65 146.58 16.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' C' ' 33' ' ' GLY . 6.0 mp -149.08 147.45 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 18.0 ttt -147.9 146.11 28.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' B' ' 36' ' ' VAL . 0.0 OUTLIER -150.17 149.61 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.89 149.44 21.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.06 18.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.83 159.68 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.639 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.595 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' D' ' 3' ' ' GLU . . . -169.7 159.26 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.554 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' D' ' 2' ' ' ALA . 57.3 mm-40 49.27 100.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -155.6 -140.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 51.61 -112.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -175.28 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . 0.599 ' C ' ' H ' ' D' ' 9' ' ' GLY . 5.4 p-10 -103.6 92.37 4.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.706 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.171 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.7 OUTLIER -62.01 5.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.67 ' O ' ' CD2' ' D' ' 10' ' ' TYR . . . 64.84 69.61 1.29 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.773 ' O ' ' CA ' ' E' ' 10' ' ' TYR . 19.2 m-85 -144.26 143.64 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -146.76 144.39 29.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.733 0.302 . . . . 0.0 110.352 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.786 ' HB ' ' H ' ' E' ' 12' ' ' VAL . 12.1 t -114.53 146.0 19.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.803 0.335 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.5 ' CG ' ' C ' ' D' ' 12' ' ' VAL . 0.4 OUTLIER -152.64 171.92 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.556 ' CG ' ' H ' ' D' ' 15' ' ' GLN . 6.0 t-80 -174.08 -172.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.556 ' H ' ' CG ' ' D' ' 14' ' ' HIS . 26.8 tt0 -127.61 -42.36 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.47 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 12.9 mptt -105.89 -85.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.8 144.46 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.46 147.45 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 10.5 t80 -152.73 149.36 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.201 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.735 ' HB2' ' O ' ' C' ' 20' ' ' PHE . 7.7 p90 175.07 -173.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.184 0.516 . . . . 0.0 111.333 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.46 121.69 36.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.308 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' E' ' 11' ' ' GLU . 11.1 mt-10 -95.24 111.87 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -135.99 110.75 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.494 ' CG1' ' H ' ' D' ' 25' ' ' GLY . 12.1 t -136.28 174.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.494 ' H ' ' CG1' ' D' ' 24' ' ' VAL . . . 96.53 -85.76 0.87 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -148.82 112.4 5.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' C' ' 23' ' ' ASP . 3.1 m-80 -89.48 168.34 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.523 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' D' ' 28' ' ' LYS . 0.1 OUTLIER -103.26 164.32 11.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.48 99.65 2.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -156.57 -123.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.614 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -144.93 144.58 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.214 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -147.44 145.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.357 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.24 149.55 21.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mp -149.91 149.2 30.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.535 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttt -147.39 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.5 OUTLIER -149.06 148.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.5 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.22 148.83 20.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.82 148.68 20.22 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.445 ' O ' ' OXT' ' D' ' 40' ' ' VAL . 90.5 t -111.79 133.27 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.445 ' OXT' ' O ' ' D' ' 39' ' ' VAL . 84.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.83 15.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.431 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' E' ' 3' ' ' GLU . 10.2 mp0 -88.35 21.45 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -89.53 -104.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -146.02 53.65 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -127.62 62.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' E' ' 8' ' ' SER . 2.1 p-10 -92.87 -169.75 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.46 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 2.3 m -39.67 161.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 0.671 ' HA2' ' N ' ' D' ' 8' ' ' SER . . . -59.45 -68.98 1.42 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.773 ' CA ' ' O ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -163.42 163.36 24.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.892 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.67 ' HA ' ' N ' ' D' ' 12' ' ' VAL . 1.1 pm0 -152.21 149.44 28.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.786 ' H ' ' HB ' ' D' ' 12' ' ' VAL . 3.0 t 78.17 123.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -130.15 -55.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.402 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.4 ' H ' HE22 ' E' ' 15' ' ' GLN . 59.0 t-80 -178.09 116.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.579 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.508 ' N ' ' CD ' ' E' ' 15' ' ' GLN . 0.2 OUTLIER -165.74 -165.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -67.26 -78.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt -147.44 145.52 29.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.308 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m -148.67 147.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.674 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.631 ' C ' ' CG ' ' E' ' 20' ' ' PHE . 24.9 m-85 -151.34 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.093 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.631 ' CG ' ' C ' ' E' ' 19' ' ' PHE . 0.1 OUTLIER 171.91 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.181 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.99 104.58 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.323 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.4 mp0 -111.8 110.38 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -139.31 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' E' ' 26' ' ' SER . 3.7 p -63.08 162.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.492 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . -43.07 76.41 0.0 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.765 ' N ' ' O ' ' E' ' 24' ' ' VAL . 8.4 t -95.2 161.59 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -140.08 109.85 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -92.99 -152.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.336 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.586 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -47.05 163.49 0.17 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -60.98 4.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.586 ' H ' ' C ' ' E' ' 29' ' ' GLY . 20.2 tt -151.31 147.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.475 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -146.88 146.57 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.273 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.12 153.85 25.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.72 153.03 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.502 ' O ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -150.03 146.66 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.218 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -156.49 156.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.25 153.97 25.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.82 150.51 22.41 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.1 m -119.85 131.58 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.676 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.494 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.93 -179.02 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' F' ' 4' ' ' PHE . 21.0 mm-40 -62.62 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.541 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' F' ' 3' ' ' GLU . 79.4 m-85 -157.64 -175.73 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' F' ' 4' ' ' PHE . 26.5 ttm180 58.16 151.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' F' ' 7' ' ' ASP . 20.1 m-70 -81.04 168.53 18.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.652 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' F' ' 6' ' ' HIS . 4.8 t70 43.26 94.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 1.8 m -76.91 139.6 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.19 153.53 24.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -150.34 148.51 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.604 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' F' ' 11' ' ' GLU . 1.0 OUTLIER -150.39 148.33 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.301 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.435 ' HB ' ' HE2' ' G' ' 14' ' ' HIS . 30.4 m -128.37 144.63 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' G' ' 13' ' ' HIS . 55.9 p-80 -175.57 -170.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 1.9 t60 74.09 -177.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.537 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 5.0 mm100 64.04 146.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 42.2 mtmt -71.28 -48.79 48.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.667 ' O ' ' CG1' ' F' ' 18' ' ' VAL . 1.8 pt? -149.51 146.22 27.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.932 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.667 ' CG1' ' O ' ' F' ' 17' ' ' LEU . 0.0 OUTLIER 171.41 -169.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.221 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.693 ' H ' ' HD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -152.11 152.26 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.184 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.771 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 62.9 m-85 -151.21 148.88 28.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.38 128.44 54.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.348 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.628 ' O ' ' O ' ' G' ' 23' ' ' ASP . 41.9 mm-40 -80.8 134.31 35.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -159.78 83.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.655 ' CG2' ' H ' ' G' ' 25' ' ' GLY . 33.3 m -93.14 179.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 -105.08 2.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -147.74 154.78 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.678 0.275 . . . . 0.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.662 ' H ' HD21 ' F' ' 27' ' ' ASN . 0.1 OUTLIER -88.25 125.79 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.684 ' HZ3' ' HG ' ' G' ' 26' ' ' SER . 1.5 mmtp -94.94 -173.12 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.66 78.45 1.18 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 -166.02 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -146.2 143.77 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.167 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.09 145.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.516 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -151.7 148.78 20.2 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.64 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -153.35 152.76 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.022 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -152.46 149.51 28.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.178 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.627 ' N ' ' SD ' ' F' ' 35' ' ' MET . 1.3 m -151.91 152.41 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 71.96 0.81 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.601 ' H ' ' HA2' ' G' ' 37' ' ' GLY . . . -62.17 -71.9 0.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' ' O ' ' G' ' 38' ' ' GLY . 7.7 p -112.55 128.91 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.547 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' G' ' 4' ' ' PHE . . . -157.53 164.54 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -73.57 136.98 44.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' G' ' 2' ' ' ALA . 84.0 m-85 -123.65 2.56 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' G' ' 5' ' ' ARG . 5.5 mpt_? -84.18 132.52 34.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -79.22 165.33 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 63.71 133.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 44.2 m -166.81 146.04 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.71 153.41 24.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.664 ' CD2' ' CD2' ' H' ' 10' ' ' TYR . 1.3 p90 -154.09 153.07 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.397 . . . . 0.0 110.622 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -150.21 149.84 30.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.38 142.52 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' G' ' 13' ' ' HIS . 42.8 p-80 -177.43 114.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.435 ' HE2' ' HB ' ' F' ' 12' ' ' VAL . 7.0 m80 -122.16 -139.96 0.32 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.637 ' O ' ' C ' ' G' ' 16' ' ' LYS . 60.1 mt-30 -134.13 -156.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' G' ' 15' ' ' GLN . 3.7 tptm 16.81 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.667 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' G' ' 15' ' ' GLN . 2.1 pp -146.32 144.05 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.232 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -148.67 147.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.622 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.548 ' O ' ' HB3' ' G' ' 20' ' ' PHE . 0.0 OUTLIER -156.95 154.68 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.503 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.798 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 27.8 p90 167.56 -165.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.48 . . . . 0.0 111.1 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.56 130.27 52.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 0.0 OUTLIER -96.16 110.23 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' F' ' 22' ' ' GLU . 42.3 t0 -135.28 103.27 5.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.94 177.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.655 ' H ' ' CG2' ' F' ' 24' ' ' VAL . . . 90.44 -100.97 2.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' SER . . . . . 0.684 ' HG ' ' HZ3' ' F' ' 28' ' ' LYS . 0.1 OUTLIER -150.24 135.66 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -74.07 -171.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 171.14 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 97.79 1.04 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.496 ' HB2' ' H ' ' G' ' 31' ' ' ILE . . . -157.46 -152.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.659 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.496 ' H ' ' HB2' ' G' ' 30' ' ' ALA . 57.0 mt -144.64 144.04 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.053 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -148.82 145.94 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.396 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.472 ' O ' ' HG ' ' G' ' 34' ' ' LEU . . . -148.16 147.28 17.76 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' G' ' 33' ' ' GLY . 4.2 mp -146.53 144.39 29.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' G' ' 35' ' ' MET . 1.3 tmt? -142.33 141.87 32.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' F' ' 35' ' ' MET . 77.2 t -155.56 152.24 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.601 ' HA2' ' H ' ' F' ' 38' ' ' GLY . . . -155.26 155.49 26.28 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' F' ' 39' ' ' VAL . . . -146.02 144.91 13.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.01 122.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.626 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' H' ' 2' ' ' ALA . 73.2 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' H' ' 1' ' ' ASP . . . 54.7 167.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.82 118.49 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.71 137.17 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -68.69 -154.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' H' ' 7' ' ' ASP . 9.0 t-80 64.04 114.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . 0.701 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 11.5 m-20 56.27 117.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.624 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.193 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 13.4 t -178.08 131.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 0.892 ' HA2' ' H ' ' I' ' 9' ' ' GLY . . . -150.84 150.5 22.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 24.3 m-85 -146.35 144.23 29.63 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 0.786 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.4 pm0 -146.34 145.85 30.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.678 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.474 ' N ' ' HG3' ' I' ' 11' ' ' GLU . 24.9 t -115.47 140.05 38.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.975 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -152.82 176.04 12.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.497 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 1.074 ' CG ' ' H ' ' H' ' 15' ' ' GLN . 31.5 t-80 -177.25 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 1.074 ' H ' ' CG ' ' H' ' 14' ' ' HIS . 41.2 tt0 -132.81 -103.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 2.8 tmtp? -51.2 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' H' ' 14' ' ' HIS . 6.4 tt -145.51 143.89 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.308 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 4.7 p -147.34 145.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.532 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.473 ' C ' ' CG ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -154.99 151.86 28.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.798 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 167.99 -166.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.032 0.444 . . . . 0.0 111.115 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.99 129.12 54.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.84 112.22 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' G' ' 22' ' ' GLU . 46.4 t0 -136.58 101.59 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.528 HG13 ' H ' ' H' ' 25' ' ' GLY . 0.2 OUTLIER -105.21 -174.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.528 ' H ' HG13 ' H' ' 24' ' ' VAL . . . 74.97 -99.56 1.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -143.73 158.97 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -110.01 -175.49 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -128.72 165.94 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.8 103.15 2.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -158.1 -140.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.468 ' H ' ' HB2' ' H' ' 30' ' ' ALA . 12.7 mt -145.09 144.58 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.166 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.93 146.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.511 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.535 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -150.52 148.29 19.32 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.535 ' HG ' ' C ' ' H' ' 33' ' ' GLY . 5.3 mt -150.11 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.569 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.466 ' C ' ' CG1' ' H' ' 36' ' ' VAL . 1.8 mpt? -149.54 146.66 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.466 ' CG1' ' C ' ' H' ' 35' ' ' MET . 1.0 OUTLIER -154.23 153.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 152.08 23.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.47 148.67 20.11 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.1 120.83 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.509 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.85 -120.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -124.8 123.06 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' I' ' 4' ' ' PHE . 5.0 m-85 -125.7 141.83 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 57.68 -109.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.701 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 50.8 m80 -63.77 130.08 42.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' I' ' 8' ' ' SER . 1.2 p30 171.26 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.164 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 1.4 m 39.59 81.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.382 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . 0.892 ' H ' ' HA2' ' H' ' 9' ' ' GLY . . . -65.21 -70.83 0.99 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 1.059 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.0 OUTLIER -147.42 144.01 28.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.786 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 35.4 tt0 -152.04 149.79 29.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.452 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.734 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 66.1 t 106.97 101.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.166 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -143.26 -86.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.914 ' HE2' ' H ' ' I' ' 17' ' ' LEU . 66.9 t60 56.69 -166.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.855 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 42.5 tp60 -146.79 -69.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 7.6 mptt -69.69 -80.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.914 ' H ' ' HE2' ' I' ' 14' ' ' HIS . 0.4 OUTLIER -146.0 144.06 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.256 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.548 ' CG2' ' CE2' ' I' ' 20' ' ' PHE . 2.2 p -148.96 147.06 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 21.4 t80 -154.44 151.85 29.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.732 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.28 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 129.13 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.246 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.24 120.22 39.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.543 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 13.8 t0 -135.87 112.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.398 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.559 HG12 ' H ' ' I' ' 25' ' ' GLY . 1.1 t -143.13 -146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.559 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 68.74 -78.16 0.27 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.7 p -153.64 106.3 2.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . 0.543 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -92.85 161.31 14.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.535 ' O ' ' NZ ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -117.96 164.89 14.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.24 107.9 2.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.516 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -155.12 -137.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -144.78 144.03 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.166 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.02 145.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.321 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.449 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -150.41 148.54 19.85 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 5.5 mp -153.26 151.53 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.462 ' O ' HG12 ' I' ' 36' ' ' VAL . 0.0 OUTLIER -150.83 149.61 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.252 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.462 HG12 ' O ' ' I' ' 35' ' ' MET . 6.8 m -152.34 151.7 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.625 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.39 151.77 23.49 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.66 147.99 18.84 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.25 123.27 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.428 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' J' ' 4' ' ' PHE . . . -78.11 78.15 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.98 20.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' J' ' 2' ' ' ALA . 41.7 m-85 -85.85 -33.17 21.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' J' ' 6' ' ' HIS . 3.8 mmp_? -76.88 -154.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' J' ' 5' ' ' ARG . 85.8 m-70 -158.11 -174.03 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . 0.634 ' N ' ' OD1' ' J' ' 7' ' ' ASP . 4.0 p-10 -159.11 -172.66 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 2.2 p 19.79 98.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -60.82 -68.82 1.5 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 1.059 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.3 OUTLIER 164.37 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 110.683 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 1.027 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 17.1 tp10 164.0 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 1.027 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 85.4 t -42.02 -88.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.721 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' J' ' 12' ' ' VAL . 1.9 m-70 163.51 -83.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 p80 179.43 -176.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -139.03 -50.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 2.3 tptp -95.75 -80.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' I' ' 17' ' ' LEU . 5.0 tp -151.14 147.82 27.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -151.53 151.09 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' I' ' 19' ' ' PHE . 2.0 m-85 -155.26 152.81 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.361 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 0.5 OUTLIER 174.01 -173.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.47 . . . . 0.0 111.119 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 114.19 26.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -111.75 102.13 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.538 ' O ' ' OD2' ' J' ' 7' ' ' ASP . 0.7 OUTLIER -139.06 142.34 38.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.737 ' O ' ' N ' ' J' ' 26' ' ' SER . 2.8 t -34.06 131.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' I' ' 24' ' ' VAL . . . -47.75 74.83 0.0 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.737 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.1 OUTLIER -144.29 101.99 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 110.475 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -83.65 171.76 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 141.06 50.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.92 93.44 1.06 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -175.7 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 mt -146.56 145.96 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.21 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -147.93 146.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.827 0.346 . . . . 0.0 110.535 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.38 147.83 18.38 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -150.98 149.69 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -148.97 147.13 28.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.76 153.24 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.45 154.81 25.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.95 149.43 21.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.02 141.71 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.428 ' OXT' ' O ' ' I' ' 40' ' ' VAL . 39.6 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.173 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.171 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.193 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.164 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.81 81.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 22.9 tt0 -162.24 122.21 2.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 77.4 m-85 -158.06 -28.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' HIS . 15.3 mmt180 -89.19 -141.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.449 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 7' ' ' ASP . 19.7 t-160 -54.31 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.752 ' O ' ' O ' ' A' ' 8' ' ' SER . 27.1 t0 58.59 139.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.193 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER 21.34 -150.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.747 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.835 ' N ' ' OG ' ' A' ' 8' ' ' SER . . . 66.31 69.12 1.43 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CE2' ' CE1' ' B' ' 10' ' ' TYR . 17.7 t80 -139.88 136.76 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -144.24 144.97 31.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.295 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 1.047 HG23 ' HA ' ' B' ' 12' ' ' VAL . 30.3 m -115.9 68.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.689 ' CG ' ' H ' ' A' ' 14' ' ' HIS . 9.3 t60 36.66 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.113 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.778 ' CB ' ' HE2' ' B' ' 14' ' ' HIS . 4.2 p80 -156.04 -165.98 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.729 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 8.0 tp-100 -176.35 158.1 1.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.785 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 9.0 mmtm 42.78 30.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.449 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.785 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 151.62 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.588 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 1.012 ' O ' HG12 ' B' ' 18' ' ' VAL . 12.9 p -171.75 169.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 111.772 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.0 ' CE2' ' O ' ' A' ' 34' ' ' LEU . 29.1 t80 155.58 -155.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER 156.25 -151.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.505 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.781 ' CB ' ' O ' ' B' ' 21' ' ' ALA . . . 146.14 134.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.744 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -144.77 172.74 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.738 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 5.7 t0 -96.58 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.659 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 28.1 m -110.26 48.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.68 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 175.53 -87.21 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.566 ' H ' HG22 ' B' ' 24' ' ' VAL . 23.2 t -171.42 95.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.835 ' HA ' ' HB ' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -83.36 139.82 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.297 179.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.693 ' NZ ' ' N ' ' C' ' 5' ' ' ARG . 0.5 OUTLIER -133.04 -157.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.963 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.752 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -30.21 114.88 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.982 ' O ' HD13 ' A' ' 31' ' ' ILE . . . 134.38 157.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 1.263 ' HA ' ' N ' ' C' ' 23' ' ' ASP . 1.1 mp -148.66 143.54 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.449 ' H ' ' C ' ' C' ' 22' ' ' GLU . 1.5 pp -160.34 161.82 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' B' ' 21' ' ' ALA . . . -154.37 154.94 25.86 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.719 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 1.024 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 0.4 OUTLIER -147.67 144.07 28.1 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 1.091 ' HB3' ' CD1' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -158.97 159.49 34.9 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 111.957 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.94 140.78 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.284 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.704 ' O ' ' CA ' ' B' ' 37' ' ' GLY . . . 152.36 -149.15 20.77 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.548 ' HA2' ' H ' ' B' ' 38' ' ' GLY . . . -166.27 163.57 36.96 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.766 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.771 ' HB ' ' H ' ' B' ' 40' ' ' VAL . 84.1 t -83.49 117.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.502 -0.349 . . . . 0.0 110.436 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 171.33 129.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 26' ' ' SER . 13.8 mm-40 -122.19 126.82 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.29 -149.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -159.41 -169.6 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.573 ' O ' ' O ' ' B' ' 7' ' ' ASP . 22.6 m80 53.52 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.617 ' C ' ' H ' ' A' ' 8' ' ' SER . 6.8 m-20 50.37 163.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.6 OUTLIER 171.61 -11.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.435 ' H ' ' HA ' ' A' ' 8' ' ' SER . . . -147.0 143.53 11.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.591 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 12.0 t80 -147.48 144.59 28.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.655 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.632 ' HB3' ' CD1' ' B' ' 20' ' ' PHE . 1.7 mt-10 -140.83 143.13 34.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 1.047 ' HA ' HG23 ' A' ' 12' ' ' VAL . 11.5 m -118.01 126.8 75.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.949 ' O ' ' O ' ' B' ' 12' ' ' VAL . 10.3 p-80 -27.32 -179.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.558 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.778 ' HE2' ' CB ' ' A' ' 14' ' ' HIS . 8.6 p80 -154.1 -137.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 17' ' ' LEU . 2.7 mt-30 171.53 171.86 0.09 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.932 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 3.7 mptp? 29.78 37.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.932 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER 151.15 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 1.012 HG12 ' O ' ' A' ' 18' ' ' VAL . 8.9 p -177.15 176.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.682 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 1.595 ' CD1' ' HB2' ' C' ' 19' ' ' PHE . 1.0 OUTLIER 157.66 -156.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.118 -179.273 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 1.231 ' N ' ' HD2' ' B' ' 19' ' ' PHE . 8.6 m-30 146.59 -146.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.808 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 1.044 ' HB3' ' O ' ' A' ' 32' ' ' ILE . . . 172.73 -130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.658 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 1.5 mm-40 89.29 68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.738 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 7.6 t0 -62.77 -143.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.773 ' O ' HG13 ' C' ' 24' ' ' VAL . 1.9 p -160.26 158.34 2.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.554 ' CA ' ' O ' ' A' ' 26' ' ' SER . . . -37.72 -19.28 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.653 ' N ' ' O ' ' B' ' 24' ' ' VAL . 35.6 m -98.08 88.83 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.506 ' OD1' ' OD1' ' C' ' 23' ' ' ASP . 2.4 t-20 -173.51 -156.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.514 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 1.6 mmtt -91.36 160.71 15.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.818 ' H ' ' HB3' ' C' ' 27' ' ' ASN . . . -99.61 78.65 0.49 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.704 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -179.44 -134.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.835 HG22 ' H ' ' C' ' 32' ' ' ILE . 0.8 OUTLIER -140.35 139.66 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 1.231 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 1.2 mt -152.1 147.69 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.329 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 1.265 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -145.08 146.09 16.07 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 1.024 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -147.94 143.72 27.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 117.417 0.609 . . . . 0.0 110.442 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.783 ' O ' ' N ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -146.26 148.03 32.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.676 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 0.4 OUTLIER -145.57 140.22 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.704 ' CA ' ' O ' ' A' ' 37' ' ' GLY . . . 153.17 -150.91 22.74 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.548 ' H ' ' HA2' ' A' ' 38' ' ' GLY . . . -156.84 156.11 26.91 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.439 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.824 ' N ' ' O ' ' C' ' 38' ' ' GLY . 26.3 t -103.44 115.81 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.351 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.771 ' H ' ' HB ' ' A' ' 39' ' ' VAL . 10.1 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.459 ' H3 ' ' H ' ' C' ' 2' ' ' ALA . 1.2 p30 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.459 ' H ' ' H3 ' ' C' ' 1' ' ' ASP . . . -149.88 151.31 33.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.471 ' C ' ' CD1' ' C' ' 4' ' ' PHE . 24.6 mt-10 -147.05 88.17 1.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' C' ' 3' ' ' GLU . 43.7 m-85 -149.76 98.19 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.693 ' N ' ' NZ ' ' A' ' 28' ' ' LYS . 4.4 ttp85 -173.83 176.53 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.671 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.597 ' O ' ' NH1' ' C' ' 5' ' ' ARG . 12.9 p80 -126.57 146.57 50.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' C' ' 10' ' ' TYR . 4.5 t70 41.9 91.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.177 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.1 OUTLIER -120.11 23.92 10.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.579 ' C ' ' CD1' ' C' ' 10' ' ' TYR . . . -144.9 140.68 9.34 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.681 ' HB3' ' CG ' ' E' ' 10' ' ' TYR . 12.4 m-85 -147.7 145.37 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.571 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.768 ' HB2' ' CZ ' ' C' ' 20' ' ' PHE . 0.4 OUTLIER -142.98 144.67 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.198 179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.923 ' O ' ' O ' ' C' ' 13' ' ' HIS . 15.7 m -110.06 116.61 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 0.923 ' O ' ' O ' ' C' ' 12' ' ' VAL . 0.1 OUTLIER -26.57 174.78 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.522 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 1.069 ' NE2' ' CE2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -169.69 -165.59 0.51 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.721 ' O ' ' N ' ' C' ' 17' ' ' LEU . 17.1 mt-30 -152.14 -170.56 3.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.937 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 1.003 ' O ' ' HA ' ' D' ' 16' ' ' LYS . 44.6 mttp 26.44 32.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.974 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 1.084 ' HG ' ' HB3' ' D' ' 17' ' ' LEU . 2.1 mm? 138.09 -137.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 1.124 ' CG2' ' H ' ' C' ' 19' ' ' PHE . 3.5 p 143.21 -141.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.22 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 1.595 ' HB2' ' CD1' ' B' ' 19' ' ' PHE . 0.1 OUTLIER 73.16 71.33 0.13 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 1.329 ' HA ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -67.02 -73.95 0.12 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.57 0.623 . . . . 0.0 110.706 179.01 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.84 ' O ' ' HB1' ' B' ' 21' ' ' ALA . . . 166.93 -138.82 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 1.449 ' C ' ' H ' ' A' ' 32' ' ' ILE . 3.3 mm-40 117.76 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.662 0.268 . . . . 0.0 110.682 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 1.263 ' N ' ' HA ' ' A' ' 31' ' ' ILE . 33.3 t0 -126.16 -133.9 0.25 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.994 0.426 . . . . 0.0 111.533 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.835 ' HB ' ' HA ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -156.43 161.19 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.674 ' HA2' ' O ' ' A' ' 29' ' ' GLY . . . -99.98 86.58 0.68 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -167.19 62.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.818 ' HB3' ' H ' ' B' ' 29' ' ' GLY . 0.1 OUTLIER 170.68 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.542 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.614 ' C ' ' O ' ' B' ' 29' ' ' GLY . 10.3 ptmt -50.67 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.565 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . . . -150.79 93.76 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.455 ' HA ' ' ND2' ' D' ' 27' ' ' ASN . . . -172.59 -147.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.781 ' O ' ' CB ' ' D' ' 32' ' ' ILE . 6.2 mt -138.08 138.92 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.577 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.835 ' H ' HG22 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -149.95 146.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 1.241 ' O ' ' HG ' ' D' ' 34' ' ' LEU . . . -151.92 152.2 23.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 1.265 ' HG ' ' O ' ' B' ' 33' ' ' GLY . 1.3 pt? -151.98 148.73 28.09 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 1.03 ' HG3' ' H ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -148.63 149.62 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.316 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.783 ' N ' ' O ' ' B' ' 35' ' ' MET . 0.5 OUTLIER -146.85 142.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.151 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.61 -145.08 13.58 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . 0.919 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . 149.63 -146.55 15.94 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.168 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.733 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 3.5 t -105.35 155.48 6.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.451 ' N ' ' CG1' ' C' ' 39' ' ' VAL . 3.4 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' D' ' 2' ' ' ALA . 36.6 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . 0.508 ' H ' ' CG ' ' D' ' 1' ' ' ASP . . . -46.86 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 59.71 51.04 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -139.8 -13.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.561 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -108.54 125.81 52.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.502 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.618 ' ND1' ' NH2' ' C' ' 5' ' ' ARG . 7.0 p-80 -43.94 112.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -152.6 34.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 3.0 t 175.26 -156.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.763 ' N ' ' OG ' ' D' ' 8' ' ' SER . . . 65.73 68.21 1.74 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 1.088 ' HB2' ' O ' ' E' ' 9' ' ' GLY . 0.1 OUTLIER -141.2 137.52 32.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.788 ' O ' ' CG1' ' C' ' 12' ' ' VAL . 2.5 mp0 -136.42 139.21 42.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.969 ' HA ' ' O ' ' E' ' 11' ' ' GLU . 2.4 m -105.43 105.74 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 111.876 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.979 ' H ' ' HA ' ' E' ' 12' ' ' VAL . 0.3 OUTLIER 32.11 -169.63 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.486 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 1.079 ' ND1' ' N ' ' D' ' 15' ' ' GLN . 0.0 OUTLIER 172.1 166.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 1.395 ' H ' ' CG1' ' D' ' 18' ' ' VAL . 19.3 mt-30 -156.55 -163.54 1.46 Allowed 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 1.102 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 7.8 tttt -2.55 47.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.586 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 1.164 ' O ' ' CA ' ' E' ' 17' ' ' LEU . 0.6 OUTLIER 59.93 66.02 1.04 Allowed 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 1.395 ' CG1' ' H ' ' D' ' 15' ' ' GLN . 1.3 m -63.71 -74.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 1.325 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 167.04 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.909 -177.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 1.396 ' N ' ' H ' ' E' ' 20' ' ' PHE . 34.7 m-85 160.44 -161.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.431 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . 1.004 ' HB1' ' O ' ' D' ' 20' ' ' PHE . . . 140.82 -78.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.449 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' O ' ' D' ' 21' ' ' ALA . 0.2 OUTLIER 88.78 179.39 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.781 ' O ' ' OG ' ' D' ' 8' ' ' SER . 6.4 t0 -126.69 158.84 35.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.927 0.394 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.575 HG13 ' N ' ' D' ' 27' ' ' ASN . 1.1 t -64.52 153.72 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.652 ' H ' ' CA ' ' A' ' 29' ' ' GLY . . . -44.78 -52.09 7.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -139.11 68.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.583 ' ND2' ' HD2' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -89.47 157.08 18.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.432 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' ND2' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -74.37 174.94 8.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' E' ' 30' ' ' ALA . . . -62.61 89.9 0.06 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.707 ' N ' ' OD1' ' E' ' 27' ' ' ASN . . . -167.58 145.6 4.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.611 ' O ' HG13 ' E' ' 32' ' ' ILE . 0.5 OUTLIER -143.23 143.66 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.952 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.781 ' CB ' ' O ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -149.38 145.74 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.197 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.696 ' O ' ' HG ' ' E' ' 34' ' ' LEU . . . -152.65 153.25 24.75 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.459 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 1.241 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 0.4 OUTLIER -149.77 145.77 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 110.444 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.666 ' HG2' ' H ' ' E' ' 36' ' ' VAL . 0.1 OUTLIER -145.25 146.62 31.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 1.03 ' H ' ' HG3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -146.25 141.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.558 ' O ' ' CA ' ' E' ' 37' ' ' GLY . . . 147.44 -145.58 14.4 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . 0.919 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . 145.56 -142.36 10.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.733 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 2.0 m -138.68 129.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 110.435 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . 0.507 ' C ' ' H ' ' E' ' 4' ' ' PHE . . . -99.28 -92.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.41 22.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' E' ' 2' ' ' ALA . 37.7 m-85 57.46 173.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' E' ' 6' ' ' HIS . 27.4 mtp85 -113.35 113.99 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' E' ' 5' ' ' ARG . 67.7 m-70 -160.67 144.13 13.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.04 111.65 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.587 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.6 OUTLIER -94.22 -150.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 1.088 ' O ' ' HB2' ' D' ' 10' ' ' TYR . . . 152.63 -150.76 22.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.917 ' HA ' ' HB2' ' D' ' 10' ' ' TYR . 0.3 OUTLIER -142.52 140.11 31.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.969 ' O ' ' HA ' ' D' ' 12' ' ' VAL . 39.0 mt-10 -143.22 141.91 31.24 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.102 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.979 ' HA ' ' H ' ' D' ' 13' ' ' HIS . 1.2 m -73.1 148.4 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.606 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.807 ' CG ' ' O ' ' E' ' 12' ' ' VAL . 0.3 OUTLIER 146.35 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.015 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.895 ' CG ' ' H ' ' F' ' 38' ' ' GLY . 7.6 m170 154.78 167.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.107 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.938 ' O ' ' N ' ' F' ' 36' ' ' VAL . 0.1 OUTLIER 165.58 137.67 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.951 ' H ' ' CB ' ' D' ' 18' ' ' VAL . 0.1 OUTLIER 168.89 25.59 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 1.3 ' H ' ' CA ' ' D' ' 18' ' ' VAL . 11.8 mt 146.0 -146.43 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 1.314 ' N ' ' HD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -141.48 139.61 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 1.111 ' O ' ' CG ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 71.95 73.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.467 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 1.396 ' H ' ' N ' ' D' ' 20' ' ' PHE . 33.1 m-85 -64.36 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 111.889 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . 0.89 ' O ' ' HB2' ' E' ' 22' ' ' GLU . . . 155.56 -87.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.668 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . 0.965 ' H ' HG21 ' G' ' 39' ' ' VAL . 0.0 OUTLIER 98.84 -177.87 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.976 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' E' ' 24' ' ' VAL . 9.6 t0 -140.01 154.76 47.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.617 HG13 ' N ' ' E' ' 25' ' ' GLY . 0.3 OUTLIER -85.7 -170.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.298 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.617 ' N ' HG13 ' E' ' 24' ' ' VAL . . . -36.09 -48.14 1.08 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.1 p -174.38 108.84 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.707 ' OD1' ' N ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -116.43 87.67 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -112.84 46.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 177.25 37.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.557 ' O ' ' OD1' ' E' ' 27' ' ' ASN . . . 170.04 108.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.385 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 tp -143.73 144.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.21 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.611 HG13 ' O ' ' D' ' 31' ' ' ILE . 0.9 OUTLIER -149.41 144.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.57 161.7 32.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.862 ' HG ' ' HA ' ' D' ' 34' ' ' LEU . 1.2 pp -159.27 156.98 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.178 0.513 . . . . 0.0 111.125 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.637 ' SD ' ' SD ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -142.73 142.2 31.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.689 179.202 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.666 ' H ' ' HG2' ' D' ' 35' ' ' MET . 1.4 t -145.07 143.39 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.105 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.558 ' CA ' ' O ' ' D' ' 37' ' ' GLY . . . 143.91 -142.43 11.16 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . 0.486 ' O ' ' CA ' ' D' ' 38' ' ' GLY . . . 147.82 -146.33 15.89 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.264 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.559 HG11 ' O ' ' H' ' 33' ' ' GLY . 0.8 OUTLIER -148.49 155.13 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.742 0.306 . . . . 0.0 110.2 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.501 ' H ' HG21 ' D' ' 39' ' ' VAL . 5.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.24 -71.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.46 150.65 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' F' ' 4' ' ' PHE . 0.7 OUTLIER -91.13 -56.62 3.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . 0.494 ' NH2' ' OE1' ' F' ' 22' ' ' GLU . 60.2 mtp180 -54.82 179.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' F' ' 6' ' ' HIS . 2.3 p-80 -170.75 142.59 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -152.18 10.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.509 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.2 m -44.3 -44.94 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . 0.857 ' O ' ' HB2' ' F' ' 10' ' ' TYR . . . -149.16 149.67 21.69 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' G' ' 10' ' ' TYR . 35.6 t80 142.26 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CG ' ' F' ' 10' ' ' TYR . 85.9 mt-10 -144.28 140.68 29.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.68 ' H ' ' H ' ' G' ' 12' ' ' VAL . 18.2 t -113.48 100.23 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.57 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -150.74 174.15 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.747 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.414 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 8.2 t60 -176.94 -130.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' F' ' 17' ' ' LEU . 36.5 mm-40 -131.19 170.39 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 48.8 mttm 42.39 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.502 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -143.49 141.63 30.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.855 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.817 ' H ' HG11 ' G' ' 18' ' ' VAL . 1.6 p -149.29 146.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -152.62 152.69 32.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.26 147.34 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.231 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -171.5 127.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' F' ' 23' ' ' ASP . 50.7 tt0 173.29 162.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' F' ' 22' ' ' GLU . 9.4 t70 -78.13 123.55 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' G' ' 23' ' ' ASP . 0.5 OUTLIER -101.55 108.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.31 -75.49 0.35 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.483 ' O ' ' OD2' ' F' ' 23' ' ' ASP . 68.7 m -148.77 118.71 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 4.0 t-20 -90.56 147.2 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.414 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 43.0 mtpt -121.04 -168.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.594 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.88 95.21 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' G' ' 30' ' ' ALA . . . -155.95 -175.28 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.449 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.46 142.41 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.415 HG23 ' H ' ' G' ' 32' ' ' ILE . 7.8 pt -151.71 150.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.031 0.444 . . . . 0.0 111.085 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.89 143.48 11.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.814 ' C ' ' HG3' ' F' ' 35' ' ' MET . 1.4 pt? -145.05 142.58 29.86 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.718 -0.283 . . . . 0.0 110.32 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.814 ' HG3' ' C ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.33 156.36 30.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 111.422 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.938 ' N ' ' O ' ' E' ' 15' ' ' GLN . 1.6 m -148.39 147.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.019 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' G' ' 37' ' ' GLY . . . 148.03 -145.98 15.12 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 1.085 ' HA3' ' O ' ' G' ' 38' ' ' GLY . . . 155.47 -154.07 25.25 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.66 HG13 ' CD1' ' E' ' 20' ' ' PHE . 8.4 m -137.2 159.1 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.804 ' N ' ' OH ' ' D' ' 10' ' ' TYR . 2.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.589 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' G' ' 2' ' ' ALA . 26.1 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . 0.415 ' H ' ' CG ' ' G' ' 1' ' ' ASP . . . -61.42 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -45.01 127.34 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.75 -51.53 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . 0.43 ' C ' ' CG ' ' G' ' 6' ' ' HIS . 12.3 mmm180 -72.71 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . 0.43 ' CG ' ' C ' ' G' ' 5' ' ' ARG . 2.5 p80 173.59 97.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -143.9 -70.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 1.4 m 56.65 30.23 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -61.6 -70.99 0.87 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.0 OUTLIER -171.99 173.1 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 111.22 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' H' ' 11' ' ' GLU . 2.1 pt-20 -151.84 150.88 30.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.456 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.804 ' O ' ' HA ' ' H' ' 12' ' ' VAL . 2.7 t 75.03 110.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' H' ' 13' ' ' HIS . 1.5 t60 -136.4 -113.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' G' ' 15' ' ' GLN . 31.0 t-80 -74.62 155.44 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' G' ' 14' ' ' HIS . 0.0 OUTLIER 156.96 140.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.498 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.706 ' NZ ' HE21 ' H' ' 15' ' ' GLN . 5.8 tptp -62.42 -66.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.608 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.829 ' O ' ' CG1' ' G' ' 18' ' ' VAL . 2.1 pp -150.66 147.04 26.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.211 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.829 ' CG1' ' O ' ' G' ' 17' ' ' LEU . 0.2 OUTLIER 163.62 -160.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.985 0.421 . . . . 0.0 111.038 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.775 ' C ' ' CD2' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -154.93 154.81 33.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.938 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 1.008 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -147.69 143.8 27.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -165.48 139.72 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.548 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.503 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.1 OUTLIER 173.98 142.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.716 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.527 ' CG ' HD21 ' H' ' 27' ' ' ASN . 1.6 m-20 -81.34 139.18 35.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 m -94.07 95.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.628 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' F' ' 24' ' ' VAL . . . 146.12 -84.11 0.19 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' SER . . . . . 0.561 ' O ' ' O ' ' H' ' 25' ' ' GLY . 73.0 m -146.43 178.2 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' OD2' ' F' ' 23' ' ' ASP . 16.1 p-10 -146.72 169.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.432 ' CD ' ' N ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -110.6 178.6 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.482 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 102.81 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' F' ' 30' ' ' ALA . . . -153.03 -156.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' H' ' 32' ' ' ILE . 69.7 mt -144.13 142.86 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.852 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.568 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 10.0 mt -145.46 144.06 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.549 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.569 ' C ' ' CD1' ' G' ' 34' ' ' LEU . . . -148.88 144.66 12.44 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.821 ' H ' HD21 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -148.46 149.32 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.754 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.746 ' SD ' ' HG ' ' E' ' 17' ' ' LEU . 5.6 mtt -152.81 149.66 28.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.946 ' HA ' ' O ' ' H' ' 36' ' ' VAL . 25.4 m -155.5 155.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.474 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 66.94 72.13 0.82 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 1.085 ' O ' ' HA3' ' F' ' 38' ' ' GLY . . . -64.93 -74.17 0.51 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.734 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.965 HG21 ' H ' ' E' ' 22' ' ' GLU . 0.3 OUTLIER -149.84 138.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.66 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.556 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.95 -173.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' H' ' 5' ' ' ARG . 33.8 mt-10 -84.26 150.19 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.22 45.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' H' ' 6' ' ' HIS . 48.1 mtp85 55.45 95.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' H' ' 5' ' ' ARG . 95.0 m-70 -158.85 170.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.26 -179.54 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 33.5 t -64.85 -75.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . 64.28 70.71 1.0 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' OG ' ' H' ' 8' ' ' SER . 0.5 OUTLIER -158.02 155.86 30.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 110.894 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' G' ' 11' ' ' GLU . 13.8 tt0 -148.73 149.78 32.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.804 ' HA ' ' O ' ' G' ' 12' ' ' VAL . 5.4 m -125.06 167.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.79 ' CD2' ' H ' ' H' ' 14' ' ' HIS . 18.6 t-160 -169.98 163.54 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.79 ' H ' ' CD2' ' H' ' 13' ' ' HIS . 0.5 OUTLIER -165.05 -164.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.678 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.766 ' N ' ' CG ' ' H' ' 14' ' ' HIS . 0.2 OUTLIER -134.39 -81.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.555 ' C ' ' HE2' ' H' ' 14' ' ' HIS . 22.1 mttp -59.53 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -143.81 142.5 30.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.456 ' HB ' ' CG ' ' H' ' 14' ' ' HIS . 1.0 OUTLIER -151.23 148.04 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.612 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.682 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.9 OUTLIER -157.49 156.83 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 1.09 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 47.9 p90 168.71 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.92 138.6 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -131.65 124.33 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.767 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 3.2 p30 -140.03 146.77 39.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.63 ' C ' ' H ' ' H' ' 26' ' ' SER . 2.8 p -34.29 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' G' ' 26' ' ' SER . . . -48.46 -5.94 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.63 ' H ' ' C ' ' H' ' 24' ' ' VAL . 4.7 t -87.75 110.73 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.606 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.527 HD21 ' CG ' ' G' ' 23' ' ' ASP . 11.1 t-20 -98.04 -178.38 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.562 ' HZ1' ' ND2' ' I' ' 27' ' ' ASN . 0.0 OUTLIER -108.46 143.58 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 85.8 1.12 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' I' ' 30' ' ' ALA . . . -167.33 -118.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.583 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -146.44 144.96 20.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . 0.568 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 1.4 mt -146.88 145.4 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.624 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -150.0 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' G' ' 34' ' ' LEU . 4.7 mp -147.58 145.47 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.346 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -144.97 143.22 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.969 HG23 ' H ' ' I' ' 36' ' ' VAL . 1.4 t -164.78 163.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 111.228 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' I' ' 37' ' ' GLY . . . 155.18 -156.54 27.01 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' I' ' 38' ' ' GLY . . . -148.36 145.01 13.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.921 ' H ' ' HA ' ' I' ' 39' ' ' VAL . 16.4 t -114.61 122.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.46 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.566 ' H ' HG23 ' G' ' 39' ' ' VAL . 2.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.554 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' H' ' 5' ' ' ARG . 31.6 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.17 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.65 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -137.1 -63.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' I' ' 5' ' ' ARG . 57.5 t80 58.49 177.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' I' ' 4' ' ' PHE . 22.9 ttt180 70.63 146.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.546 ' N ' ' CD2' ' I' ' 6' ' ' HIS . 2.4 m170 -84.35 -143.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.561 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' I' ' 8' ' ' SER . 81.0 m-20 55.08 -113.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 7.6 t 58.04 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 143.03 11.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.907 ' O ' ' C ' ' J' ' 10' ' ' TYR . 6.2 t80 -147.58 146.66 29.48 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.693 ' N ' ' CD1' ' I' ' 10' ' ' TYR . 65.8 mt-10 -148.72 145.83 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.721 ' HB ' ' H ' ' J' ' 12' ' ' VAL . 74.8 t -111.37 115.25 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.363 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' H' ' 11' ' ' GLU . 2.2 m-70 -94.43 163.73 13.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.52 ' CD2' ' CG1' ' J' ' 18' ' ' VAL . 18.2 p-80 -166.41 -178.05 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -143.25 -53.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -99.96 -75.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.413 HD13 ' H ' ' I' ' 18' ' ' VAL . 59.7 tp -145.75 143.64 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.296 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.413 ' H ' HD13 ' I' ' 17' ' ' LEU . 37.3 t -147.7 145.8 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.288 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.682 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 15.4 t80 -157.54 155.56 30.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 1.09 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 160.4 -158.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 179.651 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.81 124.74 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -107.13 96.57 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.767 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 38.0 t70 -115.64 124.03 49.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.221 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.518 ' O ' ' CA ' ' J' ' 25' ' ' GLY . 2.2 t -136.44 165.98 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.695 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.79 -59.74 0.44 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.478 ' O ' ' O ' ' J' ' 25' ' ' GLY . 0.2 OUTLIER -169.89 141.47 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . 0.562 ' ND2' ' HZ1' ' H' ' 28' ' ' LYS . 34.0 m-20 -117.63 158.64 24.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 162.08 17.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.31 105.59 1.68 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.945 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . -156.9 -145.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -145.24 146.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.086 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -147.07 144.84 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.45 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.486 ' C ' ' CD2' ' I' ' 34' ' ' LEU . . . -152.07 149.67 21.4 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' J' ' 34' ' ' LEU . 0.1 OUTLIER -157.19 156.0 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 111.159 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.64 ' O ' HG23 ' J' ' 36' ' ' VAL . 1.7 ttt -148.68 146.2 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.622 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.969 ' H ' HG23 ' H' ' 36' ' ' VAL . 0.5 OUTLIER -155.04 155.98 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 111.386 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' H' ' 37' ' ' GLY . . . 63.5 69.93 1.19 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . 0.539 ' O ' ' HA2' ' H' ' 38' ' ' GLY . . . -62.3 -73.05 0.56 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.751 -0.539 . . . . 0.0 111.751 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.921 ' HA ' ' H ' ' H' ' 39' ' ' VAL . 0.7 OUTLIER -128.53 161.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.554 ' HA ' ' H ' ' J' ' 40' ' ' VAL . 32.2 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.23 52.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.658 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' J' ' 5' ' ' ARG . 4.9 mm-40 -104.66 30.78 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -42.74 97.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' J' ' 3' ' ' GLU . 79.3 mtt85 49.52 -177.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.05 178.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' J' ' 8' ' ' SER . 7.5 p-10 -141.69 -114.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.3 OUTLIER -36.56 108.73 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -58.76 -68.27 1.77 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.907 ' C ' ' O ' ' I' ' 10' ' ' TYR . 3.6 m-85 -161.18 161.9 31.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.536 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -154.65 152.03 29.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.721 ' H ' ' HB ' ' I' ' 12' ' ' VAL . 14.7 t 77.1 134.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.58 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.9 t60 -113.03 -73.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.466 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.2 t-80 155.13 124.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.568 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -172.57 -135.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -50.6 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -149.66 146.96 27.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.52 ' CG1' ' CD2' ' I' ' 14' ' ' HIS . 34.2 m -150.66 149.66 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.666 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 7.2 m-85 -152.46 149.77 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.666 ' CG ' ' C ' ' J' ' 19' ' ' PHE . 0.1 OUTLIER 169.48 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.38 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' J' ' 22' ' ' GLU . 1.2 mp0 -125.61 110.63 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -130.12 162.96 27.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.399 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.637 ' C ' ' H ' ' J' ' 26' ' ' SER . 2.2 p -44.13 160.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.697 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' I' ' 24' ' ' VAL . . . -53.96 1.01 0.04 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.637 ' H ' ' C ' ' J' ' 24' ' ' VAL . 1.6 t -83.47 96.91 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.518 HD22 ' CG ' ' I' ' 23' ' ' ASP . 3.4 m-80 -109.8 177.33 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -99.24 127.34 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 95.17 1.8 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' I' ' 30' ' ' ALA . . . -169.31 -106.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mt -147.09 147.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -149.76 146.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.262 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.4 22.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' I' ' 34' ' ' LEU . 2.5 mt -151.18 147.86 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.664 ' O ' ' CG1' ' J' ' 36' ' ' VAL . 4.6 ptm -151.95 149.68 29.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.664 ' CG1' ' O ' ' J' ' 35' ' ' MET . 0.0 OUTLIER 169.64 -166.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.308 0.575 . . . . 0.0 111.106 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 0.982 ' HA2' ' H ' ' I' ' 37' ' ' GLY . . . 153.94 -154.18 25.33 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . 0.653 ' O ' ' O ' ' I' ' 39' ' ' VAL . . . -151.98 150.21 22.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' J' ' 39' ' ' VAL . 5.1 m -107.59 120.71 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.554 ' H ' ' HA ' ' I' ' 40' ' ' VAL . 2.3 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.193 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.177 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 3.0 m-20 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.94 158.48 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.32 95.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -88.82 12.11 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -94.59 166.76 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.469 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 6' ' ' HIS . 24.6 m170 -72.33 -122.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.63 143.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 30.2 t -69.67 -44.08 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.59 68.79 1.51 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -151.97 149.77 29.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.68 150.41 31.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' B' ' 13' ' ' HIS . 3.5 t -113.1 148.02 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -173.92 153.7 2.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.686 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.5 t-80 -172.86 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.686 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 38.2 mt-30 -145.77 -175.88 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 41.6 mtpt 42.77 -98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' H ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -145.55 143.99 30.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.112 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG2' ' ND1' ' A' ' 14' ' ' HIS . 72.0 t -148.53 146.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.625 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.663 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -147.69 146.39 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.771 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 38.0 m-85 -156.12 154.19 30.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.47 101.38 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.443 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.42 173.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.2 p30 -98.46 140.45 32.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.23 111.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.46 -80.55 0.27 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -139.62 130.47 26.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.626 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.76 130.65 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -97.89 -166.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.01 92.55 0.25 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.39 -169.86 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 mt -145.94 144.81 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.298 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pp -148.4 146.9 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.53 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 147.7 18.22 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.672 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.3 146.79 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.591 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ttt -149.47 146.41 27.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.22 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 19' ' ' PHE . 9.0 m -150.81 151.26 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 148.25 19.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.05 149.9 21.78 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.07 149.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.447 ' O ' ' CE1' ' B' ' 4' ' ' PHE . . . -159.12 -174.73 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.3 -30.71 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' B' ' 2' ' ' ALA . 14.7 m-85 58.52 -161.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER 44.14 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.487 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' B' ' 7' ' ' ASP . 0.2 OUTLIER -127.14 171.19 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 6' ' ' HIS . 10.9 t70 59.63 126.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 50.0 m -92.11 -29.93 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.32 68.46 1.65 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.446 ' O ' ' OE2' ' C' ' 11' ' ' GLU . 4.6 t80 -146.98 145.53 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -154.81 152.42 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.94 133.1 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' C' ' 13' ' ' HIS . 79.5 t60 -164.1 131.19 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.575 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 0.0 OUTLIER -148.24 -153.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -129.16 170.63 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.9 mptp? 56.5 -99.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.37 144.5 29.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.332 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.44 ' CG1' ' CE2' ' B' ' 20' ' ' PHE . 58.2 t -151.12 149.5 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.517 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -158.8 156.27 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.771 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.62 -169.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.16 114.42 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.108 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.01 134.98 33.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.567 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 65.0 t0 -150.69 111.97 4.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.165 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -178.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.12 -87.4 1.35 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -159.3 114.83 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.302 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -79.71 152.34 29.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.495 ' NZ ' ' HG ' ' C' ' 26' ' ' SER . 0.1 OUTLIER -112.41 174.75 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.458 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.2 94.59 0.55 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.407 ' HB2' ' H ' ' C' ' 30' ' ' ALA . . . -143.84 -158.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 mt -145.25 144.49 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.211 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.89 145.67 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.4 153.3 24.71 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 2.0 pt? -158.54 157.11 31.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.91 148.92 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.267 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.403 HG12 ' H ' ' C' ' 36' ' ' VAL . 32.5 m -151.24 151.16 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.95 149.97 21.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.03 148.66 20.16 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.86 143.18 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.559 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.82 133.86 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -60.65 121.94 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -81.03 -61.51 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.56 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -64.76 -167.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -120.91 -166.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 t70 61.63 93.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 1.3 m -74.19 -33.54 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.44 68.55 1.62 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' C' ' 22' ' ' GLU . 36.5 t80 -146.78 144.97 29.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 0.0 110.323 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.446 ' OE2' ' O ' ' B' ' 10' ' ' TYR . 1.5 pm0 -152.84 151.13 30.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.379 . . . . 0.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.84 149.21 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 15.8 t60 -158.3 161.28 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.811 ' CG ' ' H ' ' C' ' 15' ' ' GLN . 75.5 t60 -173.56 -170.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.811 ' H ' ' CG ' ' C' ' 14' ' ' HIS . 24.2 mt-30 -116.36 -97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' B' ' 16' ' ' LYS . 3.1 tmtp? -47.76 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -147.89 146.09 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.343 . . . . 0.0 110.541 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' C' ' 14' ' ' HIS . 1.7 p -148.21 146.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.492 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.499 ' CD2' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -156.19 153.33 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.625 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.43 -169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.44 . . . . 0.0 111.232 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.04 123.34 41.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CE2' ' C' ' 20' ' ' PHE . 64.2 mm-40 -94.77 117.23 29.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' D' ' 23' ' ' ASP . 10.8 t70 -141.1 108.45 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.452 HG12 ' H ' ' C' ' 25' ' ' GLY . 2.9 t -122.86 176.15 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.529 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.452 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.58 -96.21 2.11 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . 0.495 ' HG ' ' NZ ' ' B' ' 28' ' ' LYS . 5.5 t -147.62 119.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' C' ' 28' ' ' LYS . 36.8 t30 -80.96 173.61 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -120.64 167.62 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.511 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.03 96.96 1.84 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' D' ' 30' ' ' ALA . . . -152.17 -141.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -145.19 144.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.157 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -146.12 144.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' C' ' 34' ' ' LEU . . . -148.35 146.06 15.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' C' ' 33' ' ' GLY . 5.7 mp -149.75 148.37 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 110.705 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 35' ' ' MET . 0.0 OUTLIER -149.65 147.06 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.403 ' H ' HG12 ' B' ' 36' ' ' VAL . 27.6 m -153.12 153.13 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.17 151.38 23.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.0 148.36 19.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 40' ' ' VAL . 6.1 m -120.12 125.1 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 39' ' ' VAL . 29.2 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 48.2 t0 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.21 -83.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' D' ' 4' ' ' PHE . 31.4 mt-10 -128.09 9.28 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . 0.478 ' C ' ' H ' ' D' ' 6' ' ' HIS . 86.7 m-85 48.17 -177.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -75.57 18.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' D' ' 4' ' ' PHE . 28.3 m170 -83.46 179.76 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -87.86 146.04 25.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 45.6 m -87.98 -22.05 24.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.97 67.92 1.88 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' D' ' 22' ' ' GLU . 59.7 t80 -146.33 144.65 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.44 149.22 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.765 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -107.97 137.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' D' ' 14' ' ' HIS . 34.6 t-80 -148.22 168.23 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.6 ' N ' ' CG ' ' D' ' 13' ' ' HIS . 30.2 p-80 -174.78 -138.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' D' ' 14' ' ' HIS . 11.9 tt0 -148.87 -66.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' E' ' 16' ' ' LYS . 11.8 tptt -87.67 -75.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.72 143.88 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' D' ' 20' ' ' PHE . 2.8 p -147.54 145.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.478 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 59.1 t80 -155.11 152.61 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.711 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.624 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER 172.16 -171.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.018 0.437 . . . . 0.0 111.28 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 127.67 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' D' ' 10' ' ' TYR . 74.2 mm-40 -97.17 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.702 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 33.9 t0 -133.4 105.47 6.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.383 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.512 ' CG1' ' H ' ' D' ' 25' ' ' GLY . 3.9 t -141.76 178.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.512 ' H ' ' CG1' ' D' ' 24' ' ' VAL . . . 92.15 -86.61 1.24 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -144.59 109.4 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.418 HD21 ' N ' ' D' ' 27' ' ' ASN . 1.4 m-80 -94.2 171.26 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.24 163.74 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 102.99 2.81 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' E' ' 30' ' ' ALA . . . -157.16 -129.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' D' ' 32' ' ' ILE . 9.1 tt -145.1 144.03 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' D' ' 31' ' ' ILE . 6.3 mm -146.35 145.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.315 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.73 147.31 17.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mp -150.23 148.43 28.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.707 0.289 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' D' ' 35' ' ' MET . 4.1 ppp? -150.19 148.11 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -153.74 153.22 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.547 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.25 153.15 24.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.41 149.97 21.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.85 154.43 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.97 63.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 44.98 87.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -67.69 -80.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -172.82 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.501 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -150.58 -85.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' E' ' 9' ' ' GLY . 56.0 t0 -160.45 124.23 3.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.0 OUTLIER -70.44 11.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' E' ' 7' ' ' ASP . . . 62.99 65.92 2.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.536 ' CE1' ' OE1' ' E' ' 22' ' ' GLU . 42.8 p90 -147.88 146.47 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 110.333 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -151.21 150.09 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -110.29 149.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.649 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.27 -178.97 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.605 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 0.0 OUTLIER -89.14 -86.99 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.605 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 18.3 mm100 58.4 -142.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' D' ' 16' ' ' LYS . 5.9 mmmt -84.47 -79.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -148.51 146.35 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.14 147.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 5.4 m-85 -153.65 151.45 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.206 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.704 ' HD1' ' N ' ' E' ' 20' ' ' PHE . 0.0 OUTLIER -179.07 179.35 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.128 0.49 . . . . 0.0 111.356 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 119.57 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' E' ' 10' ' ' TYR . 74.3 mt-10 -92.02 113.46 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -136.21 108.87 7.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.491 HG21 ' N ' ' E' ' 25' ' ' GLY . 0.2 OUTLIER -166.75 156.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.491 ' N ' HG21 ' E' ' 24' ' ' VAL . . . 85.17 -34.98 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -143.13 105.43 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' E' ' 27' ' ' ASN . 0.6 OUTLIER -137.3 172.86 12.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.549 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -132.4 151.87 51.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.93 99.06 2.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.617 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . -156.76 -116.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.553 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.48 ' O ' ' CD1' ' E' ' 32' ' ' ILE . 3.2 pt -145.31 144.62 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' E' ' 31' ' ' ILE . 6.5 mm -146.0 144.47 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.15 149.52 21.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -150.6 148.41 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.418 ' O ' ' CG1' ' E' ' 36' ' ' VAL . 12.3 ptm -151.69 149.44 29.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' E' ' 35' ' ' MET . 29.4 m -156.6 156.06 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.76 153.33 24.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.55 19.85 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -115.81 154.8 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.571 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' F' ' 3' ' ' GLU . . . -136.77 -151.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . 0.611 ' H ' ' H ' ' G' ' 3' ' ' GLU . 40.6 mm-40 53.36 106.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' F' ' 3' ' ' GLU . 42.3 m-85 -161.31 -92.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -76.4 -159.16 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' F' ' 6' ' ' HIS . 0.0 OUTLIER -82.15 154.11 25.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . 0.498 ' H ' ' HA2' ' G' ' 25' ' ' GLY . 0.1 OUTLIER 166.43 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.5 OUTLIER -86.06 -101.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.447 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . 1.017 ' HA2' ' H ' ' G' ' 9' ' ' GLY . . . 63.28 71.2 0.87 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -163.81 161.57 23.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.255 0.55 . . . . 0.0 111.458 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.886 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.9 pm0 -147.24 145.65 29.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.578 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.995 ' HB ' ' H ' ' G' ' 13' ' ' HIS . 98.6 t -71.35 92.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.497 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.447 ' HA ' ' ND1' ' G' ' 13' ' ' HIS . 25.7 p-80 -96.91 134.0 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 176.81 172.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' G' ' 15' ' ' GLN . 17.9 mt-30 -148.14 -177.52 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.3 mttt 55.15 -120.73 1.65 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.755 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 0.3 OUTLIER -147.63 144.48 28.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.025 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.91 ' O ' HG21 ' G' ' 18' ' ' VAL . 10.0 p 162.19 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.844 ' H ' ' CG2' ' F' ' 18' ' ' VAL . 0.1 OUTLIER -159.96 159.35 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.54 ' HB2' ' CE2' ' G' ' 20' ' ' PHE . 11.3 m-85 -161.87 159.9 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.762 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.46 134.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.644 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 9.9 pt-20 -177.17 132.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 146.65 37.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' F' ' 25' ' ' GLY . 0.2 OUTLIER -136.94 162.92 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . 0.581 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 100.23 -44.93 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' G' ' 27' ' ' ASN . 1.2 m -168.19 91.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.52 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -96.73 109.7 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -103.96 -158.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.488 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.28 89.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.8 -178.47 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 mt -146.65 145.14 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.397 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.9 145.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 146.12 15.41 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.68 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.77 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 110.555 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 6.6 tpt -151.45 148.92 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.589 HG11 ' CZ ' ' F' ' 19' ' ' PHE . 14.3 m -151.6 151.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.15 146.42 15.77 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.27 153.32 24.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.56 139.07 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.309 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.577 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' G' ' 6' ' ' HIS . 26.2 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.78 86.17 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . 0.611 ' H ' ' H ' ' F' ' 3' ' ' GLU . 4.8 mt-10 61.8 124.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -68.11 156.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 50.97 70.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . 0.628 ' N ' ' ND1' ' G' ' 6' ' ' HIS . 0.5 OUTLIER -60.54 120.56 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' G' ' 8' ' ' SER . 39.5 t0 -119.94 -22.89 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.9 OUTLIER 35.85 42.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 1.286 ' O ' ' N ' ' H' ' 10' ' ' TYR . . . -66.26 -71.45 0.9 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.991 ' HB2' ' O ' ' G' ' 9' ' ' GLY . 0.1 OUTLIER 146.98 -143.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.886 ' HA ' ' HA ' ' F' ' 11' ' ' GLU . 3.6 mt-10 -163.89 162.12 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.453 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.796 ' O ' HG22 ' H' ' 12' ' ' VAL . 39.1 t 124.84 59.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.995 ' H ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 t-80 -132.4 162.8 30.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.501 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 1.016 ' CG ' ' H ' ' G' ' 15' ' ' GLN . 81.7 t60 176.0 -164.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.524 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 1.016 ' H ' ' CG ' ' G' ' 14' ' ' HIS . 13.6 tt0 -139.31 -67.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -90.58 -87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.836 ' N ' ' HE2' ' G' ' 14' ' ' HIS . 1.9 pp -150.05 146.6 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.027 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.91 HG21 ' O ' ' F' ' 18' ' ' VAL . 11.2 p 174.58 -173.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.22 0.534 . . . . 0.0 111.32 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.881 ' H ' ' CG2' ' G' ' 18' ' ' VAL . 9.6 t80 -148.06 149.04 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.553 ' N ' ' CD1' ' G' ' 19' ' ' PHE . 9.5 m-85 -144.69 142.82 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.37 128.83 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.237 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.644 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.2 OUTLIER 173.22 155.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.856 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.422 ' OD1' ' OD1' ' G' ' 27' ' ' ASN . 3.5 p-10 -102.36 149.2 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.51 HG12 ' P ' ' F' ' 101' ' ' 2PO . 14.3 p -134.4 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.688 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.587 ' CA ' ' O3P' ' F' ' 101' ' ' 2PO . . . 113.29 -69.21 0.23 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' G' ' 26' ' ' SER . 47.2 p -155.84 95.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' F' ' 26' ' ' SER . 39.7 t30 -92.04 136.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -109.8 -175.1 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.35 93.54 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' H' ' 30' ' ' ALA . . . -141.71 -172.27 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -146.2 145.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.294 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.98 145.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.405 ' C ' HD23 ' G' ' 34' ' ' LEU . . . -153.83 151.36 23.1 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.405 HD23 ' C ' ' G' ' 33' ' ' GLY . 0.1 OUTLIER -159.4 159.31 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.912 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' G' ' 35' ' ' MET . 3.8 ppp? -153.95 150.52 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.249 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.577 HG12 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -154.6 155.65 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.08 151.42 23.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.9 146.17 15.54 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.66 160.83 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.617 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.631 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.38 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.69 2.65 6.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.45 72.88 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.34 104.8 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' OD2' ' I' ' 7' ' ' ASP . 59.3 m-70 -42.43 138.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.701 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.0 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 1.3 t -176.02 173.47 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' I' ' 9' ' ' GLY . . . 66.13 67.08 2.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 1.286 ' N ' ' O ' ' G' ' 9' ' ' GLY . 32.7 p90 -138.59 136.43 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 1.146 ' O ' ' CG1' ' H' ' 12' ' ' VAL . 0.5 OUTLIER -57.36 -70.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.628 0.251 . . . . 0.0 110.675 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 1.146 ' CG1' ' O ' ' H' ' 11' ' ' GLU . 30.4 m 135.83 -128.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER 157.5 -161.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' H' ' 15' ' ' GLN . 7.7 t-80 78.57 107.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.63 ' OE1' ' ND1' ' I' ' 14' ' ' HIS . 0.0 OUTLIER 158.65 172.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.683 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -96.05 -62.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.64 ' O ' ' CG1' ' H' ' 18' ' ' VAL . 2.1 pp -148.7 145.08 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.737 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.834 HG13 ' H ' ' G' ' 18' ' ' VAL . 0.0 OUTLIER 177.64 -177.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.362 0.601 . . . . 0.0 111.663 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.83 ' O ' ' CD2' ' H' ' 20' ' ' PHE . 4.0 t80 -149.41 148.62 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.705 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.83 ' CD2' ' O ' ' H' ' 19' ' ' PHE . 27.4 m-85 -150.75 150.59 31.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.01 107.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 1.7 pm0 -166.1 158.69 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 1.3 p30 -122.73 164.49 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.266 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.86 HG11 ' H ' ' H' ' 25' ' ' GLY . 8.4 t -115.69 177.49 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.558 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.86 ' H ' HG11 ' H' ' 24' ' ' VAL . . . 82.81 -86.86 1.47 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -157.73 131.43 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' H' ' 28' ' ' LYS . 2.7 p-10 -97.04 -173.2 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.451 ' CD ' ' C ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -128.22 -179.36 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.644 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' G' ' 28' ' ' LYS . . . -94.08 104.39 3.15 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' I' ' 30' ' ' ALA . . . -151.2 -145.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.639 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.407 ' H ' ' HB1' ' H' ' 30' ' ' ALA . 25.4 mt -144.72 143.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.0 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.94 145.58 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.553 ' O ' ' HG ' ' H' ' 34' ' ' LEU . . . -147.58 144.24 12.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -150.72 150.74 31.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' H' ' 35' ' ' MET . 0.7 OUTLIER -146.97 144.5 29.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.091 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.706 HG12 ' H ' ' I' ' 36' ' ' VAL . 19.9 m -152.21 151.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.736 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.66 150.33 22.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.23 146.68 16.54 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.38 130.42 63.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.594 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.41 -169.52 0.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' I' ' 4' ' ' PHE . 23.9 mm-40 56.67 109.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' I' ' 3' ' ' GLU . 31.8 m-85 -163.65 164.85 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 57.37 160.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -82.76 -0.38 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.483 ' OD2' ' ND1' ' H' ' 6' ' ' HIS . 4.3 m-20 -45.55 -65.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 22.0 p -44.79 121.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -148.48 146.81 16.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -145.14 144.73 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.64 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 1.067 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 9.7 pt-20 -144.68 142.99 30.5 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.57 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.673 ' H ' ' HA ' ' J' ' 11' ' ' GLU . 0.4 OUTLIER -124.15 140.33 47.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.601 ' O ' ' CB ' ' H' ' 13' ' ' HIS . 8.5 t-160 -152.49 145.09 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.183 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.63 ' ND1' ' OE1' ' H' ' 15' ' ' GLN . 79.3 m-70 -159.08 -163.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.919 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' I' ' 16' ' ' LYS . 28.8 tt0 -128.14 -126.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.663 ' C ' ' O ' ' I' ' 15' ' ' GLN . 62.8 tttt -9.35 -88.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' H' ' 17' ' ' LEU . 2.2 pp -147.54 144.73 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.48 149.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.766 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.611 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 29.5 t80 -155.73 152.27 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.65 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 169.12 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 120.47 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.466 ' O ' ' OE1' ' J' ' 22' ' ' GLU . 3.3 mp0 -115.74 89.2 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' J' ' 23' ' ' ASP . 44.5 t0 -100.23 146.38 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' J' ' 25' ' ' GLY . 6.7 t -139.77 176.95 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.707 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.516 ' H ' ' CG1' ' I' ' 24' ' ' VAL . . . 99.08 -97.12 1.79 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.506 ' H ' ' HA3' ' J' ' 25' ' ' GLY . 93.8 p -143.89 107.92 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.56 166.39 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.714 ' CD ' ' H ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -103.69 129.64 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.42 102.74 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' J' ' 30' ' ' ALA . . . -163.6 -126.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.626 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -145.21 144.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.03 147.06 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' I' ' 34' ' ' LEU . . . -151.3 149.67 21.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' I' ' 33' ' ' GLY . 5.9 mp -150.62 149.75 30.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' J' ' 35' ' ' MET . 5.4 ptt? -149.07 146.59 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.706 ' H ' HG12 ' H' ' 36' ' ' VAL . 29.8 m -153.34 152.66 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.665 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 150.9 22.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.11 147.2 17.41 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 m -116.49 138.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.576 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.24 118.06 7.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -158.31 -12.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -87.61 156.75 19.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -86.37 0.19 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -43.89 -46.14 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.94 177.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.0 OUTLIER 42.32 91.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . 0.482 ' CA ' ' HA2' ' I' ' 9' ' ' GLY . . . -63.81 -71.69 0.81 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 1.067 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 29.1 t80 -156.2 154.65 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.573 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.687 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -157.11 157.74 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.662 HG13 ' O ' ' J' ' 11' ' ' GLU . 0.3 OUTLIER 87.05 118.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.795 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' J' ' 13' ' ' HIS . 53.6 t60 -126.19 17.44 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' J' ' 15' ' ' GLN . 1.0 OUTLIER 77.42 -152.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.551 ' CB ' ' O ' ' J' ' 14' ' ' HIS . 7.1 tp60 85.58 126.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.689 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' I' ' 16' ' ' LYS . 32.7 mmtm 40.07 -104.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.87 146.35 27.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -149.16 148.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.611 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 8.1 t80 -153.02 150.55 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.229 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 3.6 p90 175.77 -174.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.264 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.79 130.19 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.429 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' I' ' 22' ' ' GLU . 37.8 mm-40 -135.16 95.7 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.482 ' O ' ' OD1' ' I' ' 23' ' ' ASP . 16.8 t70 -123.95 160.07 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.35 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' J' ' 26' ' ' SER . 18.8 m -53.98 142.87 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.619 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' I' ' 24' ' ' VAL . . . -40.57 -22.4 0.05 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.7 OUTLIER -85.82 128.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.64 178.05 6.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.44 77.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.29 6.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.719 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -88.91 -12.5 41.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 tt -149.43 146.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.269 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -149.36 146.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.05 150.68 22.68 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.89 146.16 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.228 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.79 148.53 29.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.496 ' H ' HG12 ' I' ' 36' ' ' VAL . 17.4 m -155.23 153.41 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.96 153.25 24.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.18 150.77 22.67 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -106.26 151.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.7 -130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.73 48.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 36.4 m-85 54.55 15.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 53.2 47.99 23.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -124.63 161.73 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 11.9 p30 -45.95 129.25 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 3.2 t -46.02 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.615 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.33 69.75 1.23 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -153.63 151.21 29.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.593 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -154.79 154.03 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.4 m -119.97 114.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 10.3 p80 -155.82 166.23 34.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.584 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.642 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 22.9 t-160 -175.78 -116.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.642 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 2.9 tt0 -157.49 171.23 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.621 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 60.7 mttm 53.12 -95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 2.8 tt -145.61 144.95 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.032 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -151.1 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.394 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' CG2' ' A' ' 36' ' ' VAL . 2.2 p90 -149.76 147.86 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.403 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' B' ' 20' ' ' PHE . 26.8 m-85 -149.65 147.18 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.389 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.92 102.93 3.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' B' ' 22' ' ' GLU . 3.4 pt-20 171.76 157.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -72.71 132.99 44.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.52 114.51 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.73 -70.38 0.5 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.83 117.61 8.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -88.91 121.55 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -100.53 -168.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.72 80.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.01 -171.74 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.295 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mt -146.52 144.56 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.102 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.56 148.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' HA2' ' B' ' 33' ' ' GLY . . . -152.2 149.74 21.48 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.701 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 1.6 pt? -153.8 152.83 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.012 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.657 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 28.5 ttt -156.47 152.64 27.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.261 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.988 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 0.0 OUTLIER 170.25 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.752 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.695 ' H ' ' HA2' ' B' ' 37' ' ' GLY . . . 67.63 69.67 1.32 Allowed Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.562 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . -142.98 140.52 9.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.653 HG23 ' H ' ' B' ' 40' ' ' VAL . 2.4 p -64.4 53.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 110.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' A' ' 38' ' ' GLY . 33.4 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' B' ' 4' ' ' PHE . 14.2 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.71 -10.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -164.23 -13.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' B' ' 1' ' ' ASP . 89.9 m-85 51.06 178.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 6' ' ' HIS . 75.1 mtt85 -76.77 -115.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 5' ' ' ARG . 76.6 m80 56.72 155.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.664 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' B' ' 8' ' ' SER . 2.7 p30 -68.8 -171.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.174 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.4 p 156.53 143.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.415 ' H ' ' HB3' ' A' ' 8' ' ' SER . . . -148.0 145.94 15.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -147.77 145.73 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.69 154.02 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -120.62 160.01 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.805 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 9.1 t60 -178.69 129.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' B' ' 13' ' ' HIS . 39.5 m-70 -141.03 -147.96 0.23 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.566 ' N ' ' OE1' ' B' ' 15' ' ' GLN . 19.1 mp0 -128.29 -109.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.893 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 65.6 mmtt -37.44 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -148.08 146.11 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.534 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.417 HG23 ' N ' ' B' ' 19' ' ' PHE . 9.5 p -148.55 146.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 8.0 p90 -154.72 152.68 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.697 ' CZ ' ' CD2' ' C' ' 20' ' ' PHE . 10.7 p90 -168.78 168.89 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.32 116.99 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.225 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.9 pt-20 -178.87 169.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.588 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 41.9 p30 -117.32 155.07 30.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.388 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.24 108.34 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.1 -94.92 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -154.49 115.78 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.584 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.28 154.76 22.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -93.17 -178.97 4.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.7 105.78 1.56 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.63 -160.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.683 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.77 145.86 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.164 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 11.7 mt -147.8 145.79 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.282 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -156.18 153.81 25.03 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.701 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 3.2 pp -157.63 156.63 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.774 ' O ' ' CG2' ' B' ' 36' ' ' VAL . 1.9 tmt? -152.56 151.27 30.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.69 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.988 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER 155.7 -151.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.38 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.695 ' HA2' ' H ' ' A' ' 37' ' ' GLY . . . 153.55 -153.6 24.95 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . -144.0 142.77 11.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -76.62 141.27 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.653 ' H ' HG23 ' A' ' 39' ' ' VAL . 6.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.663 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.9 p30 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.84 -74.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -92.76 158.93 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.496 ' CD2' ' C ' ' C' ' 4' ' ' PHE . 2.1 t80 -176.63 112.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.51 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' C' ' 6' ' ' HIS . 15.3 t-80 -177.16 87.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' C' ' 6' ' ' HIS . 7.8 m-20 56.61 122.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 8.1 m -42.66 -32.09 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' C' ' 10' ' ' TYR . . . 64.31 69.03 1.43 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' C' ' 9' ' ' GLY . 26.5 m-85 -143.98 142.45 30.72 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -150.54 149.26 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.58 130.45 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -131.65 170.68 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.679 ' CG ' ' H ' ' C' ' 15' ' ' GLN . 7.7 t-80 -173.9 -162.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.677 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.679 ' H ' ' CG ' ' C' ' 14' ' ' HIS . 34.7 tt0 -137.48 -65.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 4.0 mmtp -82.8 -81.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.546 ' O ' ' CE1' ' C' ' 14' ' ' HIS . 6.7 tt -145.56 143.8 30.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.301 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 3.6 p -150.64 148.24 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.636 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -158.1 156.36 30.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CZ ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.59 -169.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.55 112.59 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.314 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.93 116.72 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.693 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.588 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 47.1 t0 -140.12 119.65 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.265 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.48 HG13 ' H ' ' C' ' 25' ' ' GLY . 0.6 OUTLIER -128.58 179.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.624 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.48 ' H ' HG13 ' C' ' 24' ' ' VAL . . . 95.47 -87.48 1.03 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p -157.58 108.64 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.682 ' ND2' ' HZ1' ' C' ' 28' ' ' LYS . 9.7 t-20 -71.93 -176.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.682 ' HZ1' ' ND2' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -131.44 161.8 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.555 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.7 95.01 1.45 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -148.0 -139.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -144.48 143.6 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.156 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' B' ' 32' ' ' ILE . 11.5 mt -146.2 144.73 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.402 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -150.23 148.09 18.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' B' ' 34' ' ' LEU . 1.9 pt? -153.84 153.72 32.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 12.5 ptm -148.03 145.17 28.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.077 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.977 ' O ' ' HB ' ' B' ' 36' ' ' VAL . 18.4 m -150.09 146.85 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.35 153.73 25.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 149.53 21.24 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -94.49 120.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.444 ' H ' HG12 ' B' ' 39' ' ' VAL . 36.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.02 -70.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.18 124.16 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -174.06 95.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -163.57 -77.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -173.52 -45.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . 0.454 ' HA ' ' H ' ' C' ' 7' ' ' ASP . 7.6 p-10 -53.72 -177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 2.2 p 71.78 108.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.751 ' H ' ' H ' ' C' ' 8' ' ' SER . . . -151.37 147.47 17.41 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' D' ' 10' ' ' TYR . 0.0 OUTLIER -150.54 150.81 31.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.652 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -147.24 145.58 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.21 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.64 133.3 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.706 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' D' ' 13' ' ' HIS . 1.3 t-80 -156.3 115.32 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.485 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' D' ' 14' ' ' HIS . 0.0 OUTLIER -143.02 -159.99 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' D' ' 17' ' ' LEU . 61.6 mm-40 -126.2 -167.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 15.1 mmtt 39.56 -98.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' D' ' 15' ' ' GLN . 5.8 tt -149.57 146.5 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.382 . . . . 0.0 110.492 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -149.53 149.0 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.608 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 28.3 t80 -154.81 151.65 28.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' E' ' 20' ' ' PHE . 0.4 OUTLIER 177.52 -176.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 111.306 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.36 135.98 53.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -113.82 122.13 46.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.787 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -143.92 116.27 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.236 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.525 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -138.06 -174.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.525 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 88.71 -92.13 1.78 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -146.17 106.37 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.538 ' CB ' ' HZ2' ' C' ' 28' ' ' LYS . 13.0 m-80 -86.03 165.66 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.476 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -106.01 153.62 21.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.42 101.8 2.15 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.679 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.35 -127.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 0.0 110.552 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -144.31 143.61 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.208 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -146.94 145.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.374 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' E' ' 33' ' ' GLY . . . -149.75 148.29 19.44 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.61 ' N ' ' CD2' ' D' ' 34' ' ' LEU . 0.7 OUTLIER -152.32 149.19 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' E' ' 35' ' ' MET . 22.6 ptp -150.13 149.36 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -151.89 151.01 12.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.642 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.09 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.53 150.19 22.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.61 129.96 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.6 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.583 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.57 -19.54 63.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -173.74 161.71 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -83.01 -74.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -161.75 24.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.31 123.22 29.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -46.59 158.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.9 OUTLIER -126.29 97.29 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.44 65.9 2.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.412 ' CD2' ' C ' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -148.92 147.65 28.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.785 0.326 . . . . 0.0 110.373 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.56 149.1 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' N ' ' E' ' 13' ' ' HIS . 4.1 p -125.29 162.61 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.528 ' O ' ' CD2' ' E' ' 14' ' ' HIS . 0.9 OUTLIER -144.56 -59.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' E' ' 15' ' ' GLN . 6.7 p80 41.84 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.608 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.653 ' N ' ' ND1' ' E' ' 14' ' ' HIS . 14.1 mm100 -143.68 -48.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' E' ' 16' ' ' LYS . 10.6 mptt -82.22 -88.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -148.21 146.1 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -151.78 149.55 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 8.8 m-85 -155.02 153.28 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.647 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER 175.75 -174.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.81 112.46 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.467 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' E' ' 22' ' ' GLU . 1.4 mp0 -101.46 112.01 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.72 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' E' ' 22' ' ' GLU . 90.0 m-20 -137.57 132.1 32.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.63 108.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.85 37.41 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -135.95 149.33 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.602 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -137.61 172.47 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -127.97 -153.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -52.37 175.03 0.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' D' ' 30' ' ' ALA . . . -70.73 5.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.427 ' H ' ' C ' ' E' ' 29' ' ' GLY . 7.9 mt -148.38 145.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.331 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -147.53 146.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -151.37 149.09 20.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mt -149.57 148.13 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.5 ptt? -152.64 149.82 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.612 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -156.0 155.57 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.98 153.3 24.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.89 152.91 24.45 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.61 163.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.615 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.549 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.0 -159.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' F' ' 3' ' ' GLU . 0.5 OUTLIER -82.95 158.26 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' F' ' 5' ' ' ARG . 0.3 OUTLIER -159.82 172.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' F' ' 4' ' ' PHE . 36.7 mmt-85 57.59 143.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . 0.447 ' ND1' ' NH2' ' H' ' 5' ' ' ARG . 93.2 m-70 -42.93 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' F' ' 9' ' ' GLY . 28.0 t70 -68.61 65.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.3 OUTLIER -38.31 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' F' ' 7' ' ' ASP . . . 149.37 -146.97 16.87 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.683 ' HA ' ' HA ' ' G' ' 10' ' ' TYR . 13.3 p90 -146.11 144.88 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.891 ' H ' ' H ' ' G' ' 11' ' ' GLU . 0.0 OUTLIER -60.51 -72.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.995 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.557 HG22 ' H ' ' G' ' 13' ' ' HIS . 27.3 m -147.85 158.66 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.638 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 30.0 t-80 -171.3 82.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.65 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 1.5 m170 162.22 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' F' ' 14' ' ' HIS . 56.0 mm-40 75.4 127.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 74.0 mttt -56.6 -61.98 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.653 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.2 pp -148.48 144.75 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.664 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.702 ' CG2' ' H ' ' F' ' 19' ' ' PHE . 4.5 p 170.62 -169.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.215 0.531 . . . . 0.0 111.287 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.812 ' CZ ' HG13 ' F' ' 36' ' ' VAL . 0.1 OUTLIER -149.6 149.77 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.168 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 1.008 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 27.7 m-85 -148.7 145.29 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.533 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.53 112.72 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.468 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 176.44 177.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 1.2 p30 -101.21 133.53 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.655 ' H ' HG12 ' G' ' 24' ' ' VAL . 6.3 p -104.55 147.79 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.521 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -56.04 2.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -156.27 117.96 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.705 0.288 . . . . 0.0 110.624 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -102.37 144.15 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.529 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 11.5 mptt -107.03 -172.06 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.37 108.89 2.64 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.5 -164.03 1.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.705 0.288 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -143.32 142.2 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.99 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.75 146.69 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.429 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -147.2 145.99 15.32 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.662 ' CD1' ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -149.09 146.76 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.57 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' G' ' 35' ' ' MET . 31.8 ttm -150.65 148.07 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.812 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 11.5 m -152.31 152.64 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.915 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.32 147.95 18.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.81 150.54 22.44 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.9 152.72 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.554 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.595 179.877 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.4 164.72 13.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.97 -1.52 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 50.65 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' G' ' 7' ' ' ASP . 2.4 mpt_? -83.03 -124.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 m80 52.57 12.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' NE ' ' H' ' 5' ' ' ARG . 1.8 m-20 64.88 164.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.539 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 45.7 t -72.04 -54.24 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 0.411 ' HA3' ' N ' ' F' ' 8' ' ' SER . . . 63.57 67.88 1.88 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.789 ' CZ ' ' CD1' ' H' ' 10' ' ' TYR . 3.8 p90 -151.35 149.82 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.428 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.891 ' H ' ' H ' ' F' ' 11' ' ' GLU . 0.5 OUTLIER -152.37 152.29 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.469 ' N ' ' HG2' ' G' ' 11' ' ' GLU . 0.8 OUTLIER -119.57 150.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.66 ' O ' ' CG ' ' G' ' 14' ' ' HIS . 1.7 t-80 179.82 159.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 30.4 m80 -162.81 -146.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' G' ' 17' ' ' LEU . 1.3 mp0 -138.26 -173.68 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 27.9 mmtp 33.56 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' G' ' 15' ' ' GLN . 1.3 pp -147.01 144.38 29.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' G' ' 19' ' ' PHE . 33.8 t -155.38 153.49 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -163.27 161.92 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 1.008 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 19.9 p90 161.96 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.73 127.41 32.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.318 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 2.4 tp10 -98.22 115.22 27.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.621 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 7.3 t70 -130.2 108.91 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.299 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.655 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.4 t -126.4 -158.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.679 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.598 ' H ' HG13 ' G' ' 24' ' ' VAL . . . 75.21 -82.03 0.91 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -152.2 110.96 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.649 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' F' ' 28' ' ' LYS . 63.6 t-20 -87.96 92.37 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.586 ' CD ' ' H ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -72.56 -179.13 2.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.81 88.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.46 -171.15 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.527 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -145.32 144.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.114 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.28 145.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 150.26 22.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 2.0 pt? -156.06 154.56 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -149.46 148.74 29.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' G' ' 19' ' ' PHE . 7.3 p -153.95 152.09 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.664 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.94 152.48 24.13 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.37 147.49 17.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -126.8 146.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.571 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.23 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 62.22 173.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' H' ' 5' ' ' ARG . 60.2 t80 -169.65 176.71 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . 0.622 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 12.4 ttp180 70.99 140.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' H' ' 5' ' ' ARG . 1.3 m-70 -49.32 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -55.87 133.73 51.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 11.0 m -98.99 -1.85 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 0.407 ' N ' ' HA3' ' I' ' 9' ' ' GLY . . . 63.68 69.39 1.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.789 ' CD1' ' CZ ' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -151.73 148.16 27.56 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.382 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 1.177 ' HA ' ' O ' ' I' ' 10' ' ' TYR . 2.7 pm0 -153.43 153.46 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.201 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.673 ' H ' ' HA ' ' I' ' 11' ' ' GLU . 78.7 t -99.81 86.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.3 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.618 ' ND1' ' CE1' ' I' ' 13' ' ' HIS . 8.0 m170 -85.14 165.72 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' I' ' 13' ' ' HIS . 4.8 p-80 177.24 -178.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' H' ' 17' ' ' LEU . 3.1 mm-40 -138.32 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' G' ' 16' ' ' LYS . 5.6 mptp? 39.01 -89.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.1 pp -144.73 142.73 30.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.886 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 3.5 t -153.11 151.01 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.936 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.549 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.5 OUTLIER -155.56 153.31 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.391 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 169.8 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.033 0.444 . . . . 0.0 111.236 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.68 132.23 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.421 ' CD ' ' HH ' ' H' ' 10' ' ' TYR . 54.2 mm-40 -91.22 117.36 29.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' I' ' 26' ' ' SER . 1.8 t0 -143.95 94.72 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.42 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' H' ' 25' ' ' GLY . 2.9 p -139.6 164.17 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.64 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' H' ' 24' ' ' VAL . . . 100.63 -58.58 0.71 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.438 ' N ' ' OE2' ' I' ' 3' ' ' GLU . 3.4 m -165.53 115.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.588 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.599 ' ND2' ' CB ' ' I' ' 26' ' ' SER . 3.5 t-20 -90.72 167.16 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.522 ' N ' ' OD1' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -126.74 168.37 14.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.31 101.68 2.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.43 -147.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.642 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -144.06 143.63 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.83 144.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.455 ' C ' ' CD1' ' H' ' 34' ' ' LEU . . . -149.67 148.13 19.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' H' ' 33' ' ' GLY . 5.7 mp -149.41 147.91 28.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' I' ' 35' ' ' MET . 15.4 ptm -148.11 145.32 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.305 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 m -154.42 154.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.43 152.23 23.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.39 146.92 17.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' H' ' 40' ' ' VAL . 3.5 t -109.27 149.1 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' H' ' 39' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' CE1' ' I' ' 4' ' ' PHE . . . -42.96 108.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' I' ' 3' ' ' GLU . 1.5 pm0 -41.46 144.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' I' ' 2' ' ' ALA . 66.7 m-85 -124.12 -165.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 44.97 -161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.421 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 2.1 m-70 -95.34 115.12 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' I' ' 7' ' ' ASP . 1.2 m-20 -117.65 169.57 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.515 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.178 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 0.9 OUTLIER 73.38 109.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.501 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . 0.53 ' C ' ' HA3' ' J' ' 9' ' ' GLY . . . -62.23 -68.79 1.51 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 1.239 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.1 OUTLIER -153.0 148.53 27.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 110.56 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.911 ' N ' ' N ' ' J' ' 10' ' ' TYR . 0.6 OUTLIER -153.37 151.59 30.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 110.596 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.744 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 91.3 t 111.81 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.618 ' CE1' ' ND1' ' H' ' 13' ' ' HIS . 1.6 t-160 -80.23 -152.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.566 ' O ' ' ND1' ' I' ' 14' ' ' HIS . 0.1 OUTLIER -156.7 129.17 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.568 HE21 HE22 ' H' ' 15' ' ' GLN . 2.0 mm-40 172.2 130.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 15.7 tptt 38.26 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' I' ' 15' ' ' GLN . 61.1 tp -148.14 145.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.373 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -146.85 145.75 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 19.5 t80 -152.45 149.62 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.9 p90 -177.85 178.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.093 0.473 . . . . 0.0 111.426 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.83 115.21 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' I' ' 11' ' ' GLU . 15.1 mt-10 -91.65 103.37 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.12 115.28 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.444 HG13 ' N ' ' J' ' 25' ' ' GLY . 0.7 OUTLIER -42.88 137.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.411 ' C ' ' OD1' ' H' ' 23' ' ' ASP . . . 45.95 -159.95 0.23 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.599 ' CB ' ' ND2' ' H' ' 27' ' ' ASN . 3.5 t -92.86 171.83 8.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . 0.44 ' H ' ' HG ' ' I' ' 26' ' ' SER . 22.0 p-10 -70.53 153.48 42.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' I' ' 30' ' ' ALA . 10.7 mmtp -75.72 -177.75 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.02 79.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' I' ' 28' ' ' LYS . . . -155.48 -145.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.3 145.5 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.29 148.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.444 ' O ' ' HA2' ' J' ' 33' ' ' GLY . . . -153.11 150.02 21.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' I' ' 33' ' ' GLY . 5.4 mp -153.91 153.53 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.39 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' H' ' 35' ' ' MET . 14.4 ptm -151.13 148.97 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.463 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.408 HG11 ' O ' ' I' ' 35' ' ' MET . 32.9 m -154.01 153.29 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.97 155.18 26.1 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 148.14 19.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.34 121.72 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.604 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.98 -71.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 65.17 179.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 51.72 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -43.16 156.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . 0.498 ' CD2' ' OD1' ' J' ' 7' ' ' ASP . 5.6 t-160 -158.39 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . 0.741 ' HA ' ' OG ' ' I' ' 8' ' ' SER . 9.6 m-20 -69.0 -151.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 20.6 m 36.66 83.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . 0.747 ' N ' ' HB2' ' I' ' 8' ' ' SER . . . -64.6 -71.38 0.87 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 1.239 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.4 OUTLIER 161.69 -161.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.836 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.874 ' CG ' ' H ' ' J' ' 12' ' ' VAL . 6.4 tp10 167.1 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.874 ' H ' ' CG ' ' J' ' 11' ' ' GLU . 62.7 t -37.86 -83.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 65.2 79.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.649 ' CD2' ' H ' ' J' ' 15' ' ' GLN . 9.6 t-160 -173.51 172.67 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.649 ' H ' ' CD2' ' J' ' 14' ' ' HIS . 13.9 mt-30 47.48 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 9.7 mptt 41.78 -137.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.463 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 3.1 mt -147.03 145.15 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 m -151.04 148.5 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.534 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 6.0 m-85 -156.33 154.83 31.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.388 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.7 OUTLIER 177.04 -176.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.477 . . . . 0.0 111.198 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.34 108.46 19.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.405 ' OE2' ' OE1' ' I' ' 22' ' ' GLU . 5.9 mm-40 -96.71 101.96 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.8 128.81 25.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.395 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.637 ' C ' ' H ' ' J' ' 26' ' ' SER . 4.8 m -61.89 -165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.444 ' N ' HG13 ' I' ' 24' ' ' VAL . . . -61.69 9.86 0.1 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.637 ' H ' ' C ' ' J' ' 24' ' ' VAL . 53.0 m -82.75 88.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.7 0.286 . . . . 0.0 110.581 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -118.14 163.63 16.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -114.34 135.98 53.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.465 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.6 93.74 1.49 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' I' ' 30' ' ' ALA . . . -168.73 -109.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.549 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 12.4 pt -146.14 144.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.194 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mp -146.45 145.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.383 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.92 149.22 20.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -151.59 150.76 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.63 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -156.1 155.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.69 155.39 26.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.46 152.63 24.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.43 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 17.7 m -114.81 162.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.521 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' J' ' 39' ' ' VAL . 13.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.658 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.174 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.178 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 3' ' ' GLU . 83.4 m-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.3 -2.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' A' ' 1' ' ' ASP . 4.7 pt-20 -179.35 -173.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -70.87 -140.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -172.74 100.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -105.34 -29.88 9.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . 2.3 m-20 -132.73 -72.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 1.166 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.7 OUTLIER -36.9 95.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.498 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . 60.3 68.05 1.86 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -157.85 157.3 32.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.78 150.98 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.354 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -124.96 155.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -177.81 141.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.687 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -173.01 -159.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.687 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 26.5 mt-30 -124.98 -162.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 24.1 mtpp 40.23 -103.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.3 143.53 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -151.31 148.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.612 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' HB2' ' CD2' ' B' ' 19' ' ' PHE . 1.5 p90 -155.96 154.73 31.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.612 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 49.7 m-85 -157.44 157.22 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.64 114.39 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.439 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -160.96 166.15 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 2.5 p30 -131.38 161.32 32.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.484 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -34.84 156.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 24' ' ' VAL . . . 48.2 -157.38 0.93 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -94.37 -169.78 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.472 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -78.26 113.87 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' ALA . 62.6 mttp -92.42 -156.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.82 68.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' LYS . . . -156.13 -177.91 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -146.93 144.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.133 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 HG23 ' H ' ' B' ' 32' ' ' ILE . 27.6 pt -149.25 148.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.721 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.32 15.74 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' H ' HD11 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -149.56 148.14 29.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.776 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ttp -146.54 144.0 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.239 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 m -148.43 147.54 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.19 152.18 23.79 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -112.18 133.02 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.539 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.476 ' N ' ' OG ' ' B' ' 26' ' ' SER . 30.5 t0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.74 175.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 64.18 46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.59 34.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -81.74 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -61.16 142.88 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' B' ' 6' ' ' HIS . 34.9 m-20 55.56 160.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 60.9 m -167.03 125.67 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.99 148.74 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' C' ' 10' ' ' TYR . 28.6 p90 -151.41 149.82 29.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 110.796 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 12.7 pt-20 -150.94 148.92 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' C' ' 13' ' ' HIS . 1.8 m -126.59 136.21 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' B' ' 13' ' ' HIS . 3.7 p80 -150.78 100.43 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' B' ' 15' ' ' GLN . 16.7 p80 -104.02 -142.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.563 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.639 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 30.1 tt0 -146.99 -90.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.602 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 mptp? -49.71 -86.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -146.73 144.91 29.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -153.76 151.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -157.88 156.45 31.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.612 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 176.17 -175.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.213 0.53 . . . . 0.0 111.456 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 119.9 17.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.029 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' B' ' 20' ' ' PHE . 5.6 mp0 -98.67 140.06 33.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.161 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.725 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 29.2 t0 -152.46 118.01 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.166 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.31 -169.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.33 -89.96 1.63 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 1' ' ' ASP . 16.8 m -154.09 105.63 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.559 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -78.24 127.77 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -101.13 -175.28 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.05 97.48 0.44 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.464 ' H ' ' HB2' ' A' ' 30' ' ' ALA . . . -148.73 -170.82 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.455 HD13 HG23 ' B' ' 31' ' ' ILE . 58.7 mt -144.64 143.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.129 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.445 ' H ' HG23 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -145.82 143.67 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.46 149.76 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.643 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 0.9 OUTLIER -158.28 156.12 30.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' B' ' 35' ' ' MET . 4.1 ppp? -152.0 150.62 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.448 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.557 HG11 ' H ' ' C' ' 36' ' ' VAL . 25.1 m -152.35 152.03 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.6 151.67 23.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 148.52 19.82 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 87.2 t -125.46 150.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.564 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' C' ' 3' ' ' GLU . . . -81.2 154.53 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' C' ' 2' ' ' ALA . 20.5 mt-10 60.32 136.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -162.26 68.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -151.12 158.79 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' C' ' 6' ' ' HIS . 6.6 p-80 -82.51 169.86 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 t70 45.62 92.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 3.0 t -61.83 -31.12 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.11 69.76 1.24 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.605 ' CZ ' ' CD1' ' D' ' 10' ' ' TYR . 0.1 OUTLIER -149.93 147.08 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.435 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' B' ' 11' ' ' GLU . 4.0 pt-20 -150.52 148.93 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.532 ' O ' ' NE2' ' C' ' 14' ' ' HIS . 2.0 m -119.48 99.67 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.689 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . 0.557 ' C ' ' CD2' ' C' ' 14' ' ' HIS . 8.7 t60 -99.24 150.9 21.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.237 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.581 ' CE1' ' O ' ' D' ' 13' ' ' HIS . 0.0 OUTLIER -155.36 -173.26 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.506 ' OE1' ' NE2' ' D' ' 15' ' ' GLN . 3.4 tp-100 -131.72 -105.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.518 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' B' ' 16' ' ' LYS . 0.0 OUTLIER -39.4 -84.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.98 145.92 28.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.547 HG11 ' CD2' ' C' ' 14' ' ' HIS . 0.4 OUTLIER -150.2 149.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.561 ' C ' ' CD2' ' C' ' 19' ' ' PHE . 2.1 t80 -152.43 149.52 28.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.588 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 173.71 -172.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.473 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.0 113.38 16.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.214 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.438 ' OE1' ' OE2' ' D' ' 22' ' ' GLU . 1.1 mp0 -87.33 110.54 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -129.71 111.51 12.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.363 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.64 176.93 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.5 -87.16 1.24 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.7 m -157.57 121.08 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' C' ' 28' ' ' LYS . 10.3 t-20 -80.67 174.32 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.491 ' N ' ' OD1' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -129.05 164.35 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 91.67 0.61 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' D' ' 30' ' ' ALA . . . -150.76 -151.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.658 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.407 ' H ' ' HB2' ' C' ' 30' ' ' ALA . 9.4 mt -145.56 145.04 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -147.49 145.85 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -149.9 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' C' ' 34' ' ' LEU . 0.6 OUTLIER -155.23 153.26 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' C' ' 35' ' ' MET . 4.2 ppp? -151.78 150.74 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.406 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.557 ' H ' HG11 ' B' ' 36' ' ' VAL . 32.8 m -152.12 151.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.625 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 150.11 21.9 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 148.09 19.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.37 157.89 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.544 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -27.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.61 171.2 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' D' ' 5' ' ' ARG . 14.4 p90 -165.07 -152.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.433 ' N ' ' CD1' ' D' ' 4' ' ' PHE . 11.0 tpt180 60.14 142.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' D' ' 7' ' ' ASP . 49.1 t-80 -70.54 156.82 38.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' D' ' 9' ' ' GLY . 61.2 t0 48.3 98.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.9 OUTLIER -67.29 7.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' D' ' 7' ' ' ASP . . . 64.54 68.81 1.52 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 1.003 ' O ' ' O ' ' E' ' 10' ' ' TYR . 0.8 OUTLIER -143.28 143.33 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.738 ' N ' ' CD1' ' D' ' 10' ' ' TYR . 0.0 OUTLIER -145.44 142.93 29.72 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.748 ' H ' ' H ' ' E' ' 12' ' ' VAL . 1.3 p -106.92 161.75 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.581 ' O ' ' CE1' ' C' ' 14' ' ' HIS . 59.3 t-80 -165.7 141.88 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' D' ' 15' ' ' GLN . 6.0 p80 -152.06 -142.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' D' ' 14' ' ' HIS . 40.1 tt0 -155.73 -78.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 11.8 tttp -70.67 -79.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.814 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.37 147.16 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.489 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.412 HG11 ' H ' ' C' ' 18' ' ' VAL . 14.9 m -152.35 150.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 26.5 t80 -153.31 150.9 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.199 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.59 ' N ' ' CD2' ' D' ' 19' ' ' PHE . 13.8 p90 175.37 -174.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.184 0.516 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.17 121.78 24.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.372 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' D' ' 20' ' ' PHE . 33.8 mm-40 -98.39 119.94 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.735 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.488 ' CG ' ' ND2' ' D' ' 27' ' ' ASN . 34.8 t0 -137.94 117.46 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.396 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.485 ' O ' ' CA ' ' E' ' 25' ' ' GLY . 1.5 t -138.1 172.09 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.654 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.423 ' H ' HG11 ' D' ' 24' ' ' VAL . . . 94.87 -97.16 2.11 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.489 ' H ' ' HA3' ' E' ' 25' ' ' GLY . 62.5 p -145.0 103.74 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.317 . . . . 0.0 110.575 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' CG ' ' D' ' 23' ' ' ASP . 1.7 m120 -81.49 171.07 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.47 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -104.16 160.88 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.64 100.76 2.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -156.23 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.82 144.06 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.137 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.59 147.79 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -150.91 149.46 21.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mp -149.27 147.4 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.551 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' E' ' 35' ' ' MET . 8.4 ptm -149.73 147.42 28.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.406 ' H ' HG13 ' C' ' 36' ' ' VAL . 33.8 m -154.32 153.33 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.694 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.72 152.71 24.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.88 148.04 18.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -126.53 136.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.557 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.63 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 64.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -156.92 110.96 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -100.49 -32.16 10.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' E' ' 6' ' ' HIS . 9.5 ptt-85 -171.61 49.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' E' ' 6' ' ' HIS . 4.5 t-80 56.88 110.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' E' ' 7' ' ' ASP . 14.7 p-10 -167.48 138.43 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 1.184 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 4.4 t -159.6 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.79 -148.06 18.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 1.003 ' O ' ' O ' ' D' ' 10' ' ' TYR . 1.1 m-85 -154.67 153.34 31.17 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.746 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.706 ' HA ' ' H ' ' D' ' 12' ' ' VAL . 0.0 OUTLIER -145.39 141.16 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.748 ' H ' ' H ' ' D' ' 12' ' ' VAL . 2.8 t -79.32 -73.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.587 ' O ' ' CG ' ' E' ' 13' ' ' HIS . 0.0 OUTLIER 62.25 125.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.655 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . 0.676 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 1.7 t60 177.8 -127.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.676 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 3.5 mm-40 55.94 -116.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' D' ' 16' ' ' LYS . 6.2 mptt -82.33 -78.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.408 ' CD1' ' H ' ' E' ' 18' ' ' VAL . 0.1 OUTLIER -148.03 145.94 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.505 ' CG1' ' ND1' ' E' ' 13' ' ' HIS . 2.6 p -151.15 148.89 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 2.6 m-85 -157.25 155.47 30.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.79 -170.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.95 107.32 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.5 mp0 -104.75 102.05 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -120.33 145.1 47.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' E' ' 26' ' ' SER . 2.7 p -65.32 161.61 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . -42.3 -18.02 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' E' ' 24' ' ' VAL . 1.4 p -79.01 104.97 10.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.01 -176.1 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.544 ' HD2' ' H ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -101.98 139.61 37.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.78 101.59 2.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.592 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -173.49 -111.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.587 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 21.0 tt -145.75 145.02 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.137 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -148.55 147.15 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.445 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.75 148.11 19.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -149.08 147.19 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.453 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -151.83 148.98 28.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 m -155.73 155.22 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.1 153.39 24.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.98 151.52 23.31 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.21 133.55 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.649 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.05 -112.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -110.03 -174.46 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -65.93 156.26 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . 0.587 HH12 ' H ' ' G' ' 9' ' ' GLY . 26.4 mtp180 -102.69 145.59 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' F' ' 7' ' ' ASP . 0.9 OUTLIER -151.87 -110.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . 0.597 ' N ' ' CG ' ' F' ' 6' ' ' HIS . 1.4 p30 -94.96 59.35 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.2 OUTLIER -173.27 -62.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -62.36 -66.33 2.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 11.7 t80 -63.0 -70.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.67 0.272 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.593 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 17.2 pt-20 -151.68 149.21 28.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' G' ' 11' ' ' GLU . 0.4 OUTLIER -103.18 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . 0.402 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -132.74 158.78 41.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.646 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.615 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 13.4 t-80 -154.92 -132.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.615 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.7 pt20 -172.25 164.66 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 mttt 57.0 -115.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.717 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.0 pp -149.89 146.52 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.802 ' CG2' ' H ' ' F' ' 19' ' ' PHE . 8.1 p 165.39 -163.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.028 0.442 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.802 ' H ' ' CG2' ' F' ' 18' ' ' VAL . 0.0 OUTLIER -147.94 148.87 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.05 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.736 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 18.0 m-85 -149.32 147.67 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.27 122.51 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.464 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' G' ' 23' ' ' ASP . 31.2 mp0 -88.94 112.8 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.584 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 12.3 t70 -152.66 99.08 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.752 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.634 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 0.6 OUTLIER -49.32 135.58 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.515 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.69 -161.79 23.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 2.5 t -95.02 176.43 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.498 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' F' ' 26' ' ' SER . 57.0 t-20 -71.17 112.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -88.32 -165.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' G' ' 28' ' ' LYS . . . -62.54 95.96 0.14 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.22 179.54 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.406 ' O ' HG13 ' G' ' 32' ' ' ILE . 5.6 mt -147.63 147.72 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 1.2 pt -141.07 140.39 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.923 ' H ' ' HA2' ' G' ' 33' ' ' GLY . . . -64.54 -72.73 0.66 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.885 ' HB2' ' O ' ' F' ' 33' ' ' GLY . 2.7 tp 153.79 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.37 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.606 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -164.12 162.22 22.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.684 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.55 148.17 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.192 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.829 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -63.58 -70.77 0.97 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . 0.978 ' HA3' ' H ' ' G' ' 38' ' ' GLY . . . 157.85 -156.12 27.05 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.59 149.18 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.556 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.422 ' OXT' ' O ' ' G' ' 40' ' ' VAL . 6.4 t . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . 0.4 ' H3 ' ' H ' ' G' ' 2' ' ' ALA . 1.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . 0.4 ' H ' ' H3 ' ' G' ' 1' ' ' ASP . . . 55.3 -171.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . 0.527 ' CG ' ' H1 ' ' H' ' 1' ' ' ASP . 41.5 mt-10 -81.67 -11.32 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . 0.497 ' C ' ' H ' ' G' ' 6' ' ' HIS . 47.8 t80 51.77 175.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' G' ' 4' ' ' PHE . 64.0 mtp180 -74.39 18.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' G' ' 4' ' ' PHE . 5.6 t60 -76.86 124.91 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -84.22 76.06 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 3.3 m -55.31 -177.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' F' ' 9' ' ' GLY . . . -151.28 150.65 22.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -148.09 144.02 27.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.876 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 33.4 mt-10 -142.51 143.2 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.723 ' N ' ' HB2' ' H' ' 11' ' ' GLU . 4.7 t -109.88 135.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' H' ' 14' ' ' HIS . 0.6 OUTLIER -175.46 95.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.569 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' F' ' 12' ' ' VAL . 4.8 m-70 -111.07 -139.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.671 ' O ' ' C ' ' G' ' 16' ' ' LYS . 31.0 mt-30 -132.26 -143.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . 0.671 ' C ' ' O ' ' G' ' 15' ' ' GLN . 7.1 mttp -6.87 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.57 ' CD2' ' C ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -145.8 142.86 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.133 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 68.1 t -147.15 146.38 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.493 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -155.99 153.61 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.989 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 4.1 p90 171.8 -170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.469 . . . . 0.0 111.333 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 147.22 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.552 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.649 ' O ' ' O ' ' H' ' 23' ' ' ASP . 18.7 mp0 -112.39 124.1 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 21.0 t0 -157.07 99.02 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.348 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.473 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 15.5 m -90.51 -168.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.658 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.634 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 72.02 -106.9 2.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.3 t -151.0 135.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.58 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 26.4 t-20 -83.44 149.5 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -105.41 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 100.26 0.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 -162.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 110.76 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.458 ' C ' ' CG1' ' G' ' 32' ' ' ILE . 23.6 mt -143.7 143.25 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.95 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' F' ' 32' ' ' ILE . 1.7 mt -153.24 152.9 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.982 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.923 ' HA2' ' H ' ' F' ' 33' ' ' GLY . . . -144.22 143.02 11.6 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.773 ' O ' ' O ' ' F' ' 34' ' ' LEU . 4.7 mp -148.12 145.92 28.58 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.479 ' HA ' ' HA ' ' F' ' 35' ' ' MET . 10.5 ptp -150.44 146.87 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.218 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' F' ' 36' ' ' VAL . 11.1 m -145.68 146.89 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.508 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.829 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -152.26 149.02 20.63 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . 0.978 ' H ' ' HA3' ' F' ' 38' ' ' GLY . . . -153.61 153.45 24.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 85.6 t -86.28 123.82 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.422 ' O ' ' OXT' ' F' ' 40' ' ' VAL . 6.3 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . 0.527 ' H1 ' ' CG ' ' G' ' 3' ' ' GLU . 10.2 t70 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.4 136.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -172.89 133.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.523 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -177.93 37.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' H' ' 6' ' ' HIS . 42.0 ttt-85 -102.46 -137.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . 0.427 ' H ' ' HG2' ' H' ' 5' ' ' ARG . 4.9 m80 -108.58 -173.68 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.68 -153.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 8.6 t 61.7 141.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' I' ' 9' ' ' GLY . . . -145.08 143.54 12.01 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.89 ' H ' ' HA ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -58.26 -72.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.708 -0.289 . . . . 0.0 110.761 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . 0.876 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.1 pt-20 157.69 -155.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.957 ' HB ' ' H ' ' I' ' 13' ' ' HIS . 2.0 t 61.21 93.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' H' ' 14' ' ' HIS . 3.1 m-70 -120.25 -54.1 2.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' H' ' 13' ' ' HIS . 64.8 m-70 -161.22 136.04 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . 0.524 ' C ' ' NE2' ' H' ' 15' ' ' GLN . 0.0 OUTLIER 172.16 156.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.544 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . 0.542 ' O ' ' HB3' ' I' ' 16' ' ' LYS . 51.3 mmtt -38.42 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' H' ' 17' ' ' LEU . 1.0 OUTLIER -143.99 142.6 30.79 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.442 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 2.5 p -150.59 149.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.694 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.597 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.0 OUTLIER -156.5 153.62 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.578 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.989 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 161.67 -160.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . 0.424 ' H ' ' HB2' ' H' ' 20' ' ' PHE . . . -109.37 107.22 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.232 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.612 ' C ' ' OH ' ' H' ' 10' ' ' TYR . 2.0 mt-10 -81.01 105.71 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.649 ' O ' ' O ' ' G' ' 22' ' ' GLU . 9.4 t70 -138.42 106.62 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.549 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 9.8 p -115.03 177.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.549 ' H ' ' CG2' ' H' ' 24' ' ' VAL . . . 83.52 -72.22 2.87 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 26' ' ' SER . . . . . 0.467 ' HG ' ' C ' ' H' ' 25' ' ' GLY . 50.4 m -153.11 167.14 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.691 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' G' ' 23' ' ' ASP . 0.9 OUTLIER -127.78 -177.27 4.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.0 165.97 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.48 94.24 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' I' ' 30' ' ' ALA . . . -153.39 -121.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.631 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -145.54 144.29 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.18 148.93 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.409 . . . . 0.0 110.648 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . 0.584 ' O ' ' HG ' ' H' ' 34' ' ' LEU . . . -149.48 146.8 16.48 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' H' ' 33' ' ' GLY . 1.5 mp -151.46 151.21 31.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.984 0.421 . . . . 0.0 110.713 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.554 ' SD ' ' N ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.29 147.74 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.356 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -151.3 150.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . -154.0 152.11 23.74 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.01 150.4 22.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -111.77 126.02 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.603 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.92 -101.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 47.13 -162.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 t80 56.38 78.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -164.94 -72.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . 0.725 ' CG ' ' H ' ' I' ' 7' ' ' ASP . 46.9 t60 -155.85 -166.95 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . 0.725 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 14.0 m-20 -58.11 109.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 0.2 OUTLIER -60.75 -4.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . 64.45 69.0 1.45 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' J' ' 10' ' ' TYR . 15.4 m-85 -141.52 141.66 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.802 ' O ' ' O ' ' H' ' 11' ' ' GLU . 23.9 tt0 -148.13 144.01 27.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.087 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.968 HG22 ' H ' ' J' ' 12' ' ' VAL . 1.4 m -138.6 123.1 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.529 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.957 ' H ' ' HB ' ' H' ' 12' ' ' VAL . 0.0 OUTLIER 172.95 120.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.428 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 1.004 ' HE2' ' N ' ' I' ' 17' ' ' LEU . 0.0 OUTLIER -106.95 -130.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.904 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 72.7 tp60 -122.97 -96.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' H' ' 16' ' ' LYS . 20.6 tttp -32.47 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 1.004 ' N ' ' HE2' ' I' ' 14' ' ' HIS . 2.3 pp -144.87 143.36 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.181 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.823 ' O ' ' CG2' ' J' ' 18' ' ' VAL . 2.3 p -147.6 145.2 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 9.7 t80 -150.06 147.49 27.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.653 ' N ' ' CD2' ' I' ' 19' ' ' PHE . 0.1 OUTLIER 173.5 -171.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 111.397 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 115.08 18.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.263 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' I' ' 22' ' ' GLU . 3.2 mp0 -87.99 108.27 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.11 111.75 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' I' ' 25' ' ' GLY . 1.4 p -145.06 162.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' I' ' 24' ' ' VAL . . . 117.04 -82.37 0.32 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -145.31 98.51 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.03 -174.5 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.44 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -138.95 167.92 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.58 99.59 2.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . -152.42 -131.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -145.65 145.27 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.22 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.31 145.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -150.88 149.12 20.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 2.6 mp -149.49 148.5 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -146.32 144.84 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.439 HG12 ' CD2' ' H' ' 19' ' ' PHE . 0.3 OUTLIER -152.92 151.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.374 . . . . 0.0 110.632 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 152.59 24.16 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.91 16.97 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.28 138.65 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.563 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' J' ' 3' ' ' GLU . . . -83.99 -98.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' J' ' 2' ' ' ALA . 47.9 tt0 59.95 121.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -165.64 -72.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -171.02 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -54.56 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' J' ' 8' ' ' SER . 1.0 OUTLIER 62.36 123.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 2.6 p 53.78 137.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . 0.489 ' N ' ' HB3' ' I' ' 8' ' ' SER . . . -60.51 -68.73 1.54 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' I' ' 10' ' ' TYR . 2.6 m-85 -156.29 155.79 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.696 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -153.48 150.57 28.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.968 ' H ' HG22 ' I' ' 12' ' ' VAL . 34.9 t 64.27 104.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.682 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 7.8 t-80 -81.82 -120.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.535 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 61.6 m80 -162.48 70.16 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -176.24 57.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER -175.97 -167.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.855 ' O ' ' HB ' ' J' ' 18' ' ' VAL . 17.9 tp -145.89 144.41 30.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.896 ' CG2' ' H ' ' J' ' 19' ' ' PHE . 11.6 p 148.94 -146.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.896 ' H ' ' CG2' ' J' ' 18' ' ' VAL . 5.0 m-85 -156.29 153.68 29.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' J' ' 20' ' ' PHE . 0.0 OUTLIER -157.87 158.32 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.654 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.18 144.94 43.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -103.43 164.33 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -103.65 -111.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' J' ' 25' ' ' GLY . 14.3 p -175.72 170.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . 0.48 ' N ' ' CG2' ' J' ' 24' ' ' VAL . . . -58.5 -52.67 51.51 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -120.31 103.85 9.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.598 ' N ' ' ND2' ' J' ' 27' ' ' ASN . 0.1 OUTLIER -79.37 170.88 15.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.626 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.05 147.15 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.72 2.78 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' I' ' 30' ' ' ALA . . . -161.83 -115.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.71 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -147.47 146.94 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.279 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.71 146.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.69 150.05 21.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.55 150.06 30.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.72 145.26 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.221 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.406 HG22 ' CD2' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -151.82 151.46 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.776 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.02 149.68 21.43 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.16 148.61 20.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.55 156.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.66 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.54 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' 2PO . . . . . 1.166 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 101' ' ' 2PO . . . . . 1.184 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.557 ' HB3' ' H ' ' B' ' 25' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.505 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.678 ' HA2' ' HA3' ' B' ' 9' ' ' GLY . . . 62.95 68.35 1.7 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.772 ' H ' ' H ' ' B' ' 10' ' ' TYR . 0.4 OUTLIER 152.15 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' B' ' 11' ' ' GLU . 4.7 tt0 -147.43 144.93 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.101 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' HB ' ' H ' ' B' ' 12' ' ' VAL . 54.3 t -109.89 122.7 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -166.28 -174.52 2.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.724 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 2.0 t60 -168.42 -125.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.703 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' LEU . 82.9 mt-30 -141.81 145.19 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.708 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' C ' ' NE2' ' B' ' 14' ' ' HIS . 68.2 mmtt 54.83 -76.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.48 146.92 28.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.194 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' PHE . 3.1 p -159.07 158.28 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.426 . . . . 0.0 110.99 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -152.95 152.45 31.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.429 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -151.71 148.35 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.474 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.917 ' HB2' HD23 ' B' ' 34' ' ' LEU . . . -156.43 108.43 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' H ' ' HB3' ' B' ' 22' ' ' GLU . 15.8 pt-20 174.84 167.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -80.24 125.62 30.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 117.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.69 -78.24 0.3 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 p -143.46 118.93 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.41 101.81 4.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -102.82 -161.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 76.71 0.02 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -153.97 175.32 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.386 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -145.78 143.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.244 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -147.83 146.69 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.47 151.21 23.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.75 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.4 pt? -154.09 151.29 29.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ttt -150.85 149.59 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.704 HG13 ' CE1' ' A' ' 19' ' ' PHE . 35.7 m -150.38 149.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.739 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 148.86 20.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.2 22.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' B' ' 39' ' ' VAL . 12.4 m -132.95 165.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.615 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.502 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' B' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 3' ' ' GLU . . . -169.67 88.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' B' ' 2' ' ' ALA . 64.0 mt-10 57.22 125.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -163.89 73.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -170.91 144.71 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -58.6 165.33 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' B' ' 9' ' ' GLY . 22.0 t70 48.01 29.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.424 ' O ' ' HA2' ' A' ' 9' ' ' GLY . 1.8 t 48.42 -85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.678 ' HA3' ' HA2' ' A' ' 9' ' ' GLY . . . 155.43 -152.32 23.82 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.772 ' H ' ' H ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -165.0 165.13 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.754 ' C ' HG23 ' B' ' 12' ' ' VAL . 2.1 pt-20 -153.23 152.25 30.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.718 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.754 HG23 ' C ' ' B' ' 11' ' ' GLU . 3.3 t 89.76 120.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.519 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.746 ' ND1' ' N ' ' B' ' 14' ' ' HIS . 0.0 OUTLIER 165.2 145.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.366 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.907 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 0.7 OUTLIER -173.62 -149.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.723 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.907 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 14.7 mm100 -130.43 -101.84 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' B' ' 15' ' ' GLN . 17.6 tttt -33.97 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.428 ' H ' ' HB3' ' B' ' 16' ' ' LYS . 6.0 tt -146.07 143.35 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.031 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' B' ' 20' ' ' PHE . 6.6 p -150.44 149.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.8 t80 -145.08 143.16 30.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.114 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' B' ' 19' ' ' PHE . 27.7 m-85 -146.61 144.83 29.81 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.94 106.69 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.613 ' H ' ' HB3' ' C' ' 22' ' ' GLU . 2.1 pt-20 174.88 142.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD2' ' O ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -68.36 140.93 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.714 HG13 ' N ' ' B' ' 25' ' ' GLY . 0.4 OUTLIER -82.94 179.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.676 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.714 ' N ' HG13 ' B' ' 24' ' ' VAL . . . 62.87 -95.59 0.13 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.523 ' O ' ' OD2' ' B' ' 23' ' ' ASP . 8.7 t -132.33 179.21 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.672 0.272 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 28' ' ' LYS . 14.1 t-20 -138.55 163.94 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.544 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 1.6 mmmm -128.43 -159.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 92.88 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.746 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -157.16 -172.32 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.491 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.795 ' C ' HD12 ' B' ' 32' ' ' ILE . 39.3 mt -144.74 143.58 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.254 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.795 HD12 ' C ' ' B' ' 31' ' ' ILE . 4.7 mp -146.71 144.7 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.2 149.85 21.71 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 1.053 HD12 ' N ' ' B' ' 35' ' ' MET . 0.2 OUTLIER -153.34 150.47 28.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . 1.053 ' N ' HD12 ' B' ' 34' ' ' LEU . 8.6 ttt -147.48 146.29 29.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.693 ' H ' HG12 ' A' ' 36' ' ' VAL . 28.2 m -153.77 152.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.82 152.06 23.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.61 147.0 17.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 39' ' ' VAL . 2.4 p -124.34 126.86 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.546 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' C' ' 2' ' ' ALA . 13.4 t0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 1' ' ' ASP . . . -51.71 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.89 145.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.581 ' CD2' ' N ' ' C' ' 20' ' ' PHE . 3.4 t80 -150.75 147.3 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.119 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CE2' ' CD2' ' D' ' 20' ' ' PHE . 36.9 p90 -174.02 174.62 2.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 111.429 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' D' ' 32' ' ' ILE . . . -170.15 138.63 1.68 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.425 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.613 ' HB3' ' H ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER 174.25 160.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.941 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' D' ' 26' ' ' SER . 34.3 t70 -91.66 135.37 33.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.124 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.548 HG22 ' O ' ' D' ' 23' ' ' ASP . 0.6 OUTLIER -91.99 78.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.779 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 24' ' ' VAL . . . 173.29 -102.61 0.18 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -134.98 128.6 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.491 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' B' ' 27' ' ' ASN . 0.2 OUTLIER -78.45 101.64 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.47 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 30' ' ' ALA . 28.6 mtpt -78.56 -176.64 4.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.27 88.52 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' D' ' 28' ' ' LYS . . . -161.65 -175.72 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.562 ' H ' ' HA ' ' D' ' 30' ' ' ALA . 7.4 tt -143.31 144.3 23.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' D' ' 32' ' ' ILE . 0.1 OUTLIER -147.77 142.74 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.639 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -154.27 153.41 24.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 4.6 mp -154.2 151.94 29.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' B' ' 35' ' ' MET . 7.8 ttt -145.1 145.31 31.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.787 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 1.034 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -148.87 146.51 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.599 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.27 148.94 20.7 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . 0.71 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -148.54 147.23 17.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.0 147.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.518 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.613 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.548 HG22 HG12 ' E' ' 18' ' ' VAL . 3.7 m -146.31 146.04 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.62 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 2.6 t80 -152.89 148.6 27.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CE2' ' C' ' 20' ' ' PHE . 0.2 OUTLIER 165.96 -164.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 111.126 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.07 122.51 9.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.263 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -122.15 128.98 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.548 ' O ' HG22 ' C' ' 24' ' ' VAL . 0.0 OUTLIER -128.9 142.54 50.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.173 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.702 ' O ' ' N ' ' D' ' 26' ' ' SER . 6.3 p -50.15 164.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.685 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.637 ' N ' HG22 ' D' ' 24' ' ' VAL . . . -52.83 71.45 0.0 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.702 ' N ' ' O ' ' D' ' 24' ' ' VAL . 14.4 p -145.64 85.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.433 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.503 ' ND2' HD11 ' D' ' 31' ' ' ILE . 0.4 OUTLIER -97.42 104.68 16.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -98.17 -166.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.648 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -43.47 -174.23 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -31.56 113.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.224 . . . . 0.0 110.574 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.927 HG23 ' O ' ' E' ' 30' ' ' ALA . 1.5 pp -154.43 154.3 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.096 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.731 ' O ' ' HB ' ' C' ' 32' ' ' ILE . 84.0 mt 66.14 72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.831 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.719 ' O ' ' HB3' ' D' ' 34' ' ' LEU . . . -145.91 141.47 9.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 1.232 ' HB2' ' O ' ' E' ' 34' ' ' LEU . 1.0 OUTLIER 161.32 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.139 0.495 . . . . 0.0 111.228 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' I' ' 36' ' ' VAL . 2.0 ptm -158.58 157.78 32.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.483 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 1.034 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -152.87 153.19 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.556 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -154.54 152.56 24.11 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.71 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -152.88 150.9 22.76 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -122.01 153.41 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.64 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.548 HG12 HG22 ' D' ' 18' ' ' VAL . 10.7 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 47.5 m-85 -152.78 149.44 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' E' ' 19' ' ' PHE . 1.1 p90 161.71 -160.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.415 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.29 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.133 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -80.11 118.69 22.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 1.2 m-20 -135.11 114.26 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' E' ' 26' ' ' SER . 30.3 m -128.37 173.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.653 ' C ' HG11 ' D' ' 24' ' ' VAL . . . 65.02 -74.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.517 ' CA ' HG11 ' D' ' 24' ' ' VAL . 25.1 p -135.83 167.06 21.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.515 ' CG ' ' H ' ' E' ' 28' ' ' LYS . 63.3 t30 -150.7 -174.29 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CG ' ' E' ' 27' ' ' ASN . 35.3 mttt -90.57 173.05 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.683 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -127.47 118.07 2.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 160.87 -105.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.936 ' HA ' ' O ' ' D' ' 30' ' ' ALA . 14.1 tt -143.5 141.61 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.854 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -146.0 145.08 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' E' ' 34' ' ' LEU . . . 162.75 -160.82 33.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 1.232 ' O ' ' HB2' ' D' ' 34' ' ' LEU . 1.1 pp 159.15 -159.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.668 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -147.03 145.16 29.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.302 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.665 ' O ' HG12 ' D' ' 36' ' ' VAL . 0.2 OUTLIER -153.74 153.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.818 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -152.73 150.77 22.61 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.52 147.77 18.44 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 40' ' ' VAL . 3.0 m -107.01 158.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 39' ' ' VAL . 84.5 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.541 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' GLY . . . . . 0.511 ' HA2' ' HA2' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' G' ' 10' ' ' TYR . 12.0 t80 -147.77 147.39 29.83 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 14.3 pt-20 -152.13 148.34 27.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.145 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.857 ' HB ' ' H ' ' G' ' 12' ' ' VAL . 69.7 t -111.4 136.34 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.34 155.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.651 ' H ' ' HB2' ' G' ' 15' ' ' GLN . 5.9 t-80 -173.52 -137.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.571 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 8.0 pt20 -136.73 179.46 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.642 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.5 mttm 40.24 -101.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 144.22 29.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.22 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.451 ' O ' HG13 ' G' ' 18' ' ' VAL . 67.6 t -147.88 146.78 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' CG1' ' F' ' 36' ' ' VAL . 0.1 OUTLIER -153.89 150.88 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 1.007 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 37.7 m-85 -159.35 158.65 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 1.07 ' HB2' HD21 ' G' ' 34' ' ' LEU . . . -137.55 99.76 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.304 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 179.62 179.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' G' ' 23' ' ' ASP . 20.8 p-10 -110.33 151.88 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.45 HG22 ' H ' ' F' ' 24' ' ' VAL . 1.9 m -74.96 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 -78.49 1.59 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -153.27 164.02 38.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' F' ' 28' ' ' LYS . 30.8 t30 -106.66 167.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' F' ' 27' ' ' ASN . 26.8 mmtp -128.48 -165.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.41 100.47 1.41 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.5 -163.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.673 0.273 . . . . 0.0 110.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -144.01 142.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 pt -152.61 150.32 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -149.14 148.51 19.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.838 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.2 146.58 28.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttt -148.13 145.65 28.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.577 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 2.8 m -147.58 146.79 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.547 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -150.71 147.75 18.15 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.65 156.96 27.76 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.41 133.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.619 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.61 -79.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.17 -169.62 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -136.83 -179.36 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -74.02 -178.75 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 53.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.57 133.66 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.907 ' H ' ' H ' ' H' ' 9' ' ' GLY . 0.4 OUTLIER -85.64 -25.21 26.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . 159.35 -156.35 27.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.6 OUTLIER -166.45 166.77 16.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' H' ' 11' ' ' GLU . 1.9 pt-20 -150.92 149.62 29.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.884 ' HB ' ' HA ' ' H' ' 12' ' ' VAL . 1.4 t 72.91 113.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.58 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.551 ' C ' ' O ' ' H' ' 13' ' ' HIS . 84.6 t60 -134.13 -54.9 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 31.4 m80 -162.85 135.36 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' F' ' 14' ' ' HIS . 32.6 tt0 169.66 162.17 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.552 ' N ' ' CG ' ' G' ' 15' ' ' GLN . 0.0 OUTLIER -47.67 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.91 144.1 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.056 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.535 ' O ' HG23 ' H' ' 18' ' ' VAL . 30.4 t -152.28 151.37 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -157.68 154.49 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 1.007 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.0 OUTLIER 165.65 -165.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.71 118.78 32.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.31 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.64 130.83 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' F' ' 23' ' ' ASP . 18.8 t70 -154.47 114.13 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.05 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' H' ' 10' ' ' TYR . 14.7 m -89.36 -170.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.813 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.1 -109.77 2.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -143.13 137.95 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 41.7 t-20 -72.46 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.46 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 0.8 OUTLIER -105.37 167.04 10.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.79 89.96 0.09 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.22 -156.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -146.15 145.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.175 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.31 145.68 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.445 ' C ' ' HG ' ' G' ' 34' ' ' LEU . . . -151.97 149.0 20.64 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 1.07 HD21 ' HB2' ' F' ' 21' ' ' ALA . 0.0 OUTLIER -156.02 155.77 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.664 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -153.44 151.49 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.653 HG13 ' CE2' ' G' ' 19' ' ' PHE . 0.1 OUTLIER -148.83 148.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -149.04 146.78 16.57 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.35 147.89 18.71 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.98 137.22 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.548 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.94 177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 3' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' H' ' 4' ' ' PHE . 34.3 mt-10 42.85 51.63 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' H' ' 6' ' ' HIS . 15.2 t80 -47.82 178.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 5' ' ' ARG . . . . . 0.465 ' O ' ' ND1' ' H' ' 6' ' ' HIS . 74.3 mtt180 -40.55 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' H' ' 4' ' ' PHE . 59.0 m-70 -148.87 -159.32 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' H' ' 8' ' ' SER . 0.8 OUTLIER -138.19 -62.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.52 ' HA ' ' N ' ' G' ' 8' ' ' SER . 15.6 m 58.69 145.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -151.54 148.29 19.15 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' H' ' 9' ' ' GLY . 22.0 m-85 -152.41 150.59 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' G' ' 11' ' ' GLU . 64.1 tt0 -146.15 146.65 30.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.479 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.884 ' HA ' ' HB ' ' G' ' 12' ' ' VAL . 2.2 m -131.32 141.99 44.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.765 0.317 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.551 ' O ' ' C ' ' G' ' 13' ' ' HIS . 1.4 t-80 -167.06 132.37 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.543 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.1 OUTLIER -136.0 -168.01 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.611 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 38.2 tt0 -110.54 -95.72 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 22.4 tptt -41.1 -87.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.745 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.418 ' H ' ' HB3' ' H' ' 16' ' ' LYS . 2.4 pp -146.82 145.56 29.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.535 HG23 ' O ' ' G' ' 18' ' ' VAL . 1.2 p -147.49 145.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -153.93 151.07 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.389 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.806 ' H ' ' HB3' ' I' ' 20' ' ' PHE . 0.4 OUTLIER 174.47 -173.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 111.396 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.34 99.57 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.147 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.414 ' OE1' ' OH ' ' I' ' 10' ' ' TYR . 63.5 mm-40 -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -141.12 121.92 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -92.3 179.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.479 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 90.43 -112.18 4.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -148.06 161.75 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' G' ' 28' ' ' LYS . 9.6 t30 -80.29 175.81 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -137.28 169.63 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 92.85 0.86 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -156.99 -150.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.563 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 mt -145.42 144.8 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.173 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.01 145.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.803 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -148.05 145.74 14.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.803 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.4 mp -147.98 146.93 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.7 mtt -147.29 145.03 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -150.65 150.46 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.78 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.06 147.09 17.2 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.17 123.75 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -141.36 107.98 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' I' ' 6' ' ' HIS . 87.3 m-85 -79.25 171.45 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -60.57 74.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' I' ' 4' ' ' PHE . 15.4 m-70 -106.3 -169.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 7' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' I' ' 8' ' ' SER . 59.3 m-20 -80.51 -100.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.422 ' O ' ' O ' ' I' ' 7' ' ' ASP . 5.9 m 60.39 129.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.12 146.49 15.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.798 ' C ' ' O ' ' J' ' 10' ' ' TYR . 2.4 t80 -144.95 144.69 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' I' ' 10' ' ' TYR . 36.9 mt-10 -145.24 143.22 30.14 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.725 ' H ' ' N ' ' J' ' 12' ' ' VAL . 1.1 t -115.67 149.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.308 . . . . 0.0 110.434 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.747 ' CD2' ' H ' ' I' ' 14' ' ' HIS . 8.8 t-160 -153.68 172.56 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.546 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.841 ' CD2' ' H ' ' I' ' 15' ' ' GLN . 53.8 t60 -177.25 -174.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.841 ' H ' ' CD2' ' I' ' 14' ' ' HIS . 3.4 tp-100 -119.48 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' J' ' 16' ' ' LYS . 4.9 tmtt? -79.95 -77.0 0.2 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.931 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.0 pp -147.81 145.32 28.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.609 ' CG2' ' CE1' ' I' ' 20' ' ' PHE . 2.9 p -148.18 146.87 17.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.453 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.836 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -154.91 151.87 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.806 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.19 -168.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.94 146.08 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' J' ' 23' ' ' ASP . 3.5 mm-40 -125.23 110.75 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.638 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.518 ' OD1' ' ND2' ' J' ' 27' ' ' ASN . 25.5 t70 -135.87 117.2 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.198 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.404 ' H ' HG12 ' J' ' 24' ' ' VAL . 22.5 m -113.22 -175.95 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' H' ' 3' ' ' GLU . . . 89.34 -104.83 3.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -147.72 114.62 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -75.12 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -106.05 170.12 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.28 102.96 1.99 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.755 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.4 -141.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.89 144.14 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -146.92 145.03 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.453 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -152.29 149.54 21.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 1.4 mp -153.63 152.77 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -149.17 148.06 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' D' ' 35' ' ' MET . 0.2 OUTLIER -149.57 147.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.345 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.32 152.34 23.99 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.24 147.64 18.23 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.743 HG22 HD11 ' E' ' 31' ' ' ILE . 5.3 p -123.87 127.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.312 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.5 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.83 121.51 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.43 -49.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' J' ' 4' ' ' PHE . 78.5 t80 -75.58 -1.06 22.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -73.38 -53.51 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 6' ' ' HIS . . . . . 0.539 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.4 p-80 -150.46 -175.82 5.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.64 114.15 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -2.56 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.54 -165.63 38.78 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.798 ' O ' ' C ' ' I' ' 10' ' ' TYR . 0.7 OUTLIER -163.93 163.97 23.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.958 0.409 . . . . 0.0 110.965 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.655 ' O ' HG12 ' J' ' 12' ' ' VAL . 1.1 pm0 -154.41 151.87 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.331 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.725 ' N ' ' H ' ' I' ' 12' ' ' VAL . 0.4 OUTLIER 81.86 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.1 t-80 -149.0 42.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.9 t60 85.26 114.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' J' ' 16' ' ' LYS . 0.2 OUTLIER -167.35 178.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' I' ' 16' ' ' LYS . 63.2 mmtt -128.72 140.18 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.931 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 4.1 mm? 61.26 70.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.14 145.51 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.836 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 13.5 t80 -153.24 151.67 30.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -171.25 170.85 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.026 0.441 . . . . 0.0 111.216 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.04 104.36 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -86.63 102.9 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.629 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' I' ' 22' ' ' GLU . 53.3 t0 -135.22 119.37 17.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.404 HG12 ' H ' ' I' ' 24' ' ' VAL . 12.1 m -135.51 -174.1 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -93.55 1.78 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -137.13 117.35 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OD1' ' I' ' 23' ' ' ASP . 1.8 m120 -78.62 170.32 16.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -107.58 137.66 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.49 92.53 1.51 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.31 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.606 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -148.47 147.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' J' ' 32' ' ' ILE . 1.7 mt -147.27 146.72 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.97 151.36 23.09 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -154.35 153.95 32.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.701 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.32 146.39 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.443 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.11 153.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.565 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.09 156.16 26.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.67 149.97 21.8 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.24 135.68 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.567 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.88 153.05 24.56 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -149.43 148.08 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -152.48 150.57 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.1 154.9 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.574 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -177.05 126.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.7 t-80 -166.0 -150.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 mt-30 -134.24 -173.85 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 61.1 mttm 50.02 -103.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -146.81 145.07 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.258 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -148.96 147.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -152.88 151.28 30.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.868 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 30.9 m-85 -157.65 157.15 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.32 109.76 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.418 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.03 175.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.704 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD1' ' ND2' ' A' ' 27' ' ' ASN . 21.5 p-10 -108.23 142.87 37.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.42 107.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.534 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.74 -97.06 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -138.23 123.5 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.576 ' ND2' ' OD1' ' A' ' 23' ' ' ASP . 8.0 m120 -88.51 131.67 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -93.97 -165.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 92.58 0.3 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.21 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.492 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -146.91 145.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -148.84 147.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.37 149.69 21.5 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.03 149.29 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 tpt -148.8 146.45 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 HG22 ' B' ' 36' ' ' VAL . 11.8 m -149.62 149.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.659 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 148.87 20.48 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.07 151.67 23.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p -120.7 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.594 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' OXT' HG22 ' A' ' 40' ' ' VAL . 6.1 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.4 -143.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.57 124.33 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -165.16 95.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.466 ' O ' ' CD2' ' B' ' 6' ' ' HIS . 17.6 ttm180 -151.37 -42.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' B' ' 5' ' ' ARG . 30.4 m80 -154.26 177.75 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.95 165.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.618 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -143.36 135.05 26.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -155.29 154.35 25.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 13.5 m-85 -149.22 147.63 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.26 147.52 28.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -113.75 140.71 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -148.83 166.37 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.482 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.612 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 6.3 t-80 -174.05 -149.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.612 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 61.8 mt-30 -148.35 -32.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 6.1 mptp? -111.0 -85.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.43 144.87 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.231 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.505 ' CG2' ' CG ' ' B' ' 14' ' ' HIS . 71.8 t -151.59 150.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.59 156.73 28.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.868 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.06 -168.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 111.315 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 117.11 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.181 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -91.55 129.71 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 18.8 t70 -144.89 111.2 5.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.185 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -178.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.625 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 -96.41 2.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -157.4 116.23 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -74.75 158.81 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 175.56 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.26 95.56 0.3 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -147.48 -160.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.39 144.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.204 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -146.75 145.05 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.77 151.49 23.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.83 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.7 pt? -159.3 158.53 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 12.4 ttt -150.94 149.06 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.328 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 36' ' ' VAL . 32.2 m -150.59 150.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.06 151.03 22.88 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.14 20.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' VAL . 92.6 t -103.98 117.89 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.476 HG12 ' OXT' ' B' ' 40' ' ' VAL . 89.3 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.99 107.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.73 0.3 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 2.4 p -149.41 146.86 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -156.77 155.08 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.604 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 172.32 -171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 111.172 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.28 124.01 41.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.24 118.32 31.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -140.46 106.65 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.458 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.5 OUTLIER -117.94 173.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.458 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.26 -82.78 1.16 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -155.63 136.34 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 61.8 t30 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.634 ' HD3' ' H ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -136.31 157.07 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.69 88.62 1.57 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -154.11 -138.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.731 0.3 . . . . 0.0 110.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 mt -145.33 144.31 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.41 145.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.429 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.732 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -149.62 147.28 17.43 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 ' C ' ' C' ' 33' ' ' GLY . 2.9 mp -148.96 147.59 28.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.424 ' C ' HG13 ' C' ' 36' ' ' VAL . 20.3 mtm -148.64 146.59 28.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.371 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.738 HG12 HG22 ' D' ' 36' ' ' VAL . 33.9 m -153.6 153.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.728 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.49 151.75 23.47 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.94 18.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.2 147.45 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' C' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.595 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.699 0.285 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.36 148.94 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.612 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 11.6 t80 -152.92 149.82 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.226 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.538 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 176.27 -175.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.092 0.473 . . . . 0.0 111.33 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.42 127.48 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.437 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -101.0 117.45 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.15 112.8 9.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -122.92 -175.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.44 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 90.37 -99.78 2.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 115.41 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.0 159.83 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.492 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.564 ' CD ' ' N ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -108.28 159.37 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.67 102.31 1.19 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.973 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -157.4 -140.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.537 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -144.83 143.88 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -147.24 145.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.71 18.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mp -148.67 147.05 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' E' ' 35' ' ' MET . 11.2 ttt -149.64 146.87 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.738 HG22 HG12 ' C' ' 36' ' ' VAL . 33.4 m -154.04 153.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.69 153.16 24.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.14 19.11 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.93 130.66 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.586 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 29.3 t80 -151.99 149.26 28.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.282 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.91 163.31 23.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.29 98.41 6.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.321 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -79.96 98.21 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -126.34 119.33 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.637 HG12 ' H ' ' E' ' 25' ' ' GLY . 2.6 t -150.67 172.42 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.637 ' H ' HG12 ' E' ' 24' ' ' VAL . . . 100.92 -83.91 0.53 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -141.11 115.6 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.408 ' H ' ' HE2' ' D' ' 28' ' ' LYS . 7.1 m120 -96.14 -178.57 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.68 144.18 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.24 101.01 2.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -165.66 -114.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.479 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -146.11 145.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -147.46 146.1 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 148.68 20.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.26 148.93 29.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.486 ' O ' HG13 ' E' ' 36' ' ' VAL . 15.5 ptt? -152.88 149.95 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.532 HG22 HG12 ' D' ' 36' ' ' VAL . 21.2 m -157.18 156.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.0 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.05 150.61 22.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.44 128.75 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.604 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -150.31 148.49 28.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 147.24 28.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.52 152.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.695 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.559 ' HB3' ' HD1' ' G' ' 13' ' ' HIS . 28.5 p-80 -176.88 147.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.63 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 0.8 OUTLIER -173.6 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.63 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 37.4 mm-40 -139.2 -178.87 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 56.4 mttp 42.9 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 15' ' ' GLN . 2.2 pp -146.62 144.86 29.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.268 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.96 145.63 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' F' ' 34' ' ' LEU . 3.4 p90 -149.57 147.47 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.833 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 28.9 m-85 -153.37 152.47 31.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.48 100.87 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 178.93 174.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' G' ' 27' ' ' ASN . 22.6 p-10 -102.23 146.78 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' G' ' 24' ' ' VAL . 1.0 OUTLIER -69.03 159.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.86 -95.72 2.12 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -140.16 160.35 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.597 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -85.05 165.81 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 0.6 OUTLIER -129.97 -171.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.42 89.38 0.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.16 -165.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -146.0 144.16 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.155 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 pt -150.92 149.72 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.728 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 148.96 20.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.797 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -150.37 148.61 29.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' F' ' 36' ' ' VAL . 22.7 ttm -149.62 146.25 27.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.288 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.511 HG11 ' CZ ' ' F' ' 19' ' ' PHE . 19.4 m -151.62 152.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.796 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.96 149.59 21.32 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.98 22.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.67 134.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.582 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.87 179.26 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.7 120.11 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -59.96 -173.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.622 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 5' ' ' ARG . . . . . 0.474 ' H ' ' HE ' ' G' ' 5' ' ' ARG . 0.7 OUTLIER -56.8 108.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.504 ' H ' ' CD2' ' H' ' 6' ' ' HIS . 91.8 m-70 -140.74 -179.02 5.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.2 89.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -105.95 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 9' ' ' GLY . . . . . 0.507 ' C ' ' CG ' ' G' ' 10' ' ' TYR . . . -158.83 156.86 27.9 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.1 OUTLIER -153.73 154.14 33.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.63 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -151.96 149.36 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.418 ' O ' HG23 ' G' ' 12' ' ' VAL . 7.9 m -118.32 108.32 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.559 ' HD1' ' HB3' ' F' ' 13' ' ' HIS . 0.9 OUTLIER -121.45 91.77 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.764 ' ND1' ' N ' ' G' ' 15' ' ' GLN . 42.2 t-80 -128.26 161.24 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.537 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.764 ' N ' ' ND1' ' G' ' 14' ' ' HIS . 9.5 mt-30 -101.66 -158.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 20.2 mmtp 39.0 -104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 145.08 30.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.499 HG12 HG22 ' H' ' 18' ' ' VAL . 3.7 p -152.47 150.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' G' ' 36' ' ' VAL . 0.5 OUTLIER -158.51 156.23 29.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.581 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.833 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 167.45 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 0.0 111.221 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.13 16.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.097 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.02 134.62 40.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' H' ' 23' ' ' ASP . 15.0 t70 -148.92 119.92 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.252 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 3.9 m -84.98 176.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.656 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.65 -123.11 6.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.97 153.14 46.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.529 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.535 ' N ' ' OD2' ' F' ' 23' ' ' ASP . 7.4 t-20 -81.85 160.68 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -175.75 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.49 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 90.29 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.802 ' C ' HD12 ' G' ' 31' ' ' ILE . . . -152.02 -168.05 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.595 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.802 HD12 ' C ' ' G' ' 30' ' ' ALA . 4.6 mp -146.46 145.65 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.214 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.69 146.24 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 147.61 18.16 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.783 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.1 pt? -153.07 150.71 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.543 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -152.65 150.59 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.588 HG12 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -153.06 153.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.689 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 149.99 21.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 148.31 19.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.458 HG12 HG23 ' G' ' 40' ' ' VAL . 67.9 t -106.38 126.75 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.544 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.458 HG23 HG12 ' G' ' 39' ' ' VAL . 87.8 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.87 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.492 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.27 92.93 9.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.25 -97.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -98.49 97.28 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.514 ' C ' ' H ' ' H' ' 8' ' ' SER . 57.1 m80 -148.37 92.89 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.58 35.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.514 ' H ' ' C ' ' H' ' 6' ' ' HIS . 69.8 m -65.08 171.99 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.91 153.92 25.14 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' G' ' 10' ' ' TYR . 74.9 t80 -146.89 145.43 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.686 0.279 . . . . 0.0 110.338 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' I' ' 13' ' ' HIS . 14.4 tt0 -148.5 147.09 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.528 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.19 148.8 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' I' ' 13' ' ' HIS . 36.9 t60 -168.39 132.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.598 ' CG ' HG21 ' H' ' 18' ' ' VAL . 0.0 OUTLIER -160.46 -155.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.779 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' I' ' 15' ' ' GLN . 28.4 mt-30 -132.5 -158.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.559 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 3.7 tttp 26.65 -94.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' H' ' 15' ' ' GLN . 5.3 tt -147.57 145.36 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.402 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' H' ' 14' ' ' HIS . 38.1 t -150.18 147.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.682 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -157.09 155.38 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.714 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER 173.15 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.213 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.37 122.39 39.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.318 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 3.1 mp0 -97.55 111.35 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' G' ' 23' ' ' ASP . 46.5 t0 -135.67 111.82 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.416 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.93 179.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 87.09 -114.16 4.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 67.4 p -142.23 129.84 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' H' ' 28' ' ' LYS . 15.3 t-20 -70.15 -178.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.545 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -138.65 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.7 92.17 0.79 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -150.59 -154.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.65 144.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.208 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.98 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -153.77 150.97 22.75 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.833 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -157.33 156.48 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' H' ' 35' ' ' MET . 4.6 ppp? -149.62 149.08 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.588 ' H ' HG12 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.69 147.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.63 148.77 20.3 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.78 148.14 19.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.98 141.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.532 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -80.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.96 86.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -82.51 46.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -159.01 151.89 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 4.5 p80 -102.15 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p30 179.21 -169.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.855 ' O ' ' N ' ' J' ' 8' ' ' SER . 68.4 m 59.32 159.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 9' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -166.65 163.59 37.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' J' ' 10' ' ' TYR . 44.4 m-85 -147.58 149.25 32.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.658 0.266 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' J' ' 11' ' ' GLU . 0.9 OUTLIER -146.83 143.7 28.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.851 ' H ' ' N ' ' J' ' 12' ' ' VAL . 14.3 m -115.16 107.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.666 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' H' ' 13' ' ' HIS . 9.7 m170 -40.28 -102.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' I' ' 15' ' ' GLN . 7.8 p80 178.19 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.597 ' O ' ' C ' ' I' ' 16' ' ' LYS . 0.8 OUTLIER 85.58 169.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' I' ' 15' ' ' GLN . 8.1 mmtp -20.58 -84.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.507 HD12 ' O ' ' J' ' 17' ' ' LEU . 66.4 tp -146.37 144.02 29.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.242 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -147.65 146.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 13.0 t80 -152.6 149.29 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.714 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 10.5 p90 175.11 -173.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.164 0.507 . . . . 0.0 111.373 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.47 126.33 47.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.64 117.94 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.692 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 9.6 t0 -142.06 113.38 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.371 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.435 HG22 HG12 ' J' ' 24' ' ' VAL . 4.0 m -124.78 -173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.17 -98.14 2.34 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -146.81 114.79 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.88 177.76 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -126.46 166.12 17.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.39 97.32 1.8 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.48 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.659 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 49.0 mt -145.1 144.62 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.9 145.2 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.837 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.92 148.55 19.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.837 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.8 mp -150.64 149.39 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.573 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -148.02 146.45 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' H' ' 36' ' ' VAL . 0.0 OUTLIER -148.75 147.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.536 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.4 149.12 20.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 149.75 21.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.13 119.91 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' J' ' 40' ' ' VAL . 87.6 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.608 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.27 34.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.05 41.82 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -140.88 -79.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -46.06 166.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -60.1 -120.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 7' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' I' ' 8' ' ' SER . 12.2 m-20 51.98 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.855 ' N ' ' O ' ' I' ' 8' ' ' SER . 0.0 OUTLIER -35.79 159.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.69 73.07 0.58 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' I' ' 10' ' ' TYR . 27.1 t80 -149.24 146.85 27.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -144.56 140.69 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.851 ' N ' ' H ' ' I' ' 12' ' ' VAL . 1.8 t -64.43 -65.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.583 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.675 ' H ' HG23 ' I' ' 12' ' ' VAL . 3.5 t-160 60.84 97.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 18.3 m80 -169.59 -172.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.544 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.556 ' O ' ' C ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER 48.69 170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' J' ' 15' ' ' GLN . 25.7 mmtp 23.91 -117.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.714 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.507 ' O ' HD12 ' I' ' 17' ' ' LEU . 66.6 tp -148.47 145.98 28.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' J' ' 20' ' ' PHE . 83.0 t -150.22 148.58 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 10.2 t80 -155.26 153.24 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.622 ' HB3' ' H ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER 172.58 -171.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 111.172 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.34 111.14 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -88.79 88.7 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.6 115.29 25.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.364 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.435 HG12 HG22 ' I' ' 24' ' ' VAL . 4.1 m -138.76 -176.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.06 -89.88 1.56 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 55.1 p -143.62 117.17 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.59 169.14 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.78 153.85 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 105.73 3.15 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.699 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.03 -120.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.623 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' J' ' 31' ' ' ILE . 19.0 pt -146.74 145.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.26 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.66 146.41 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.449 ' O ' HD22 ' J' ' 34' ' ' LEU . . . -151.13 148.56 19.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.632 HD13 ' H ' ' J' ' 35' ' ' MET . 0.1 OUTLIER -149.94 148.98 29.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.51 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.67 145.54 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.2 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.442 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.44 153.44 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.76 153.58 24.9 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.71 148.87 20.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 m -123.92 147.64 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' I' ' 40' ' ' VAL . 48.2 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 10' ' ' TYR . . . -151.01 148.67 20.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.703 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER 161.26 -158.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.111 0.481 . . . . 0.0 110.9 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' H ' ' B' ' 11' ' ' GLU . 10.7 pt-20 -146.35 147.08 30.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.752 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -114.72 147.52 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.933 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.674 ' CA ' ' HA ' ' B' ' 14' ' ' HIS . 14.8 p-80 -165.87 130.9 2.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.714 ' ND1' ' CE1' ' B' ' 14' ' ' HIS . 10.8 m80 -157.46 -148.03 0.2 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' N ' ' HA ' ' B' ' 15' ' ' GLN . 57.7 mt-30 -128.55 162.37 27.41 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 1.047 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 10.3 ptpp? -25.02 140.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.432 ' O ' ' CB ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER 155.1 -151.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 179.469 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.04 ' HB ' HG13 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -164.68 166.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.418 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.919 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.6 t80 178.22 -179.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 111.014 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' C' ' 34' ' ' LEU . 54.0 m-85 -172.58 171.62 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.85 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' B' ' 21' ' ' ALA . . . -173.5 -146.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.5 pm0 -160.63 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.614 ' CB ' ' H ' ' B' ' 27' ' ' ASN . 3.6 t0 -47.18 88.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' VAL . 3.9 p -52.46 124.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.5 -52.24 0.71 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -154.18 163.27 40.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.39 104.66 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 11.1 tptp -97.32 -148.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 28' ' ' LYS . . . -65.31 88.73 0.1 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' B' ' 30' ' ' ALA . . . -157.59 135.8 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.422 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 1.382 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 1.5 mm -70.68 -64.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.798 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.376 ' CG2' ' H ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 152.01 -147.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.146 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 1.376 ' H ' ' CG2' ' A' ' 32' ' ' ILE . . . 155.37 -156.98 27.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.049 ' N ' ' HB3' ' B' ' 34' ' ' LEU . 15.6 tp -146.61 145.07 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 1.315 ' CA ' ' O ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -146.21 147.0 31.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.443 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.052 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER 68.02 70.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' B' ' 37' ' ' GLY . . . -139.35 137.71 8.77 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.715 ' HA2' HD22 ' F' ' 34' ' ' LEU . . . 152.84 -149.25 20.82 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.706 ' O ' ' O ' ' B' ' 38' ' ' GLY . 26.4 t -102.4 160.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 15.2 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.673 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 -101.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.49 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -66.02 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 6' ' ' HIS . 67.3 mtp85 -80.21 -116.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 5' ' ' ARG . 4.8 m-70 49.75 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.74 145.2 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.55 86.66 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -151.8 149.96 21.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' TYR . 31.8 m-85 -141.2 141.45 34.06 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.908 ' O ' HG12 ' B' ' 12' ' ' VAL . 18.3 tt0 -64.71 -72.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.106 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.908 HG12 ' O ' ' B' ' 11' ' ' GLU . 7.9 p 119.43 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 110.381 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.76 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 52.6 t-80 -105.97 160.28 15.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.591 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.714 ' CE1' ' ND1' ' A' ' 14' ' ' HIS . 3.1 t60 175.9 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.424 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' B' ' 14' ' ' HIS . 29.2 mt-30 -53.51 -145.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.191 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 1.047 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 22.6 tttp -136.86 -34.05 0.75 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.573 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 1.432 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.9 mm? -66.31 -70.87 0.22 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.223 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 1.279 ' CB ' ' HB ' ' C' ' 18' ' ' VAL . 0.7 OUTLIER -141.05 140.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 121.985 -0.447 . . . . 0.0 110.246 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 1.081 ' CE2' ' CE2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -65.88 -77.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.756 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.919 ' CD2' ' HB3' ' A' ' 19' ' ' PHE . 1.1 m-85 155.37 -151.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 1.154 ' HA ' ' CE1' ' C' ' 20' ' ' PHE . . . -147.23 117.7 7.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -169.74 123.73 0.77 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 5.2 p-10 -93.78 167.01 11.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.065 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.414 HG22 ' H ' ' B' ' 24' ' ' VAL . 2.7 m -73.53 155.23 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 -92.37 0.17 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.523 ' CB ' ' OD2' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -147.43 156.01 42.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.652 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.614 ' H ' ' CB ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -127.52 89.32 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.589 ' H ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.29 98.36 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.067 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.612 ' HA3' HD13 ' C' ' 31' ' ' ILE . . . -126.13 -137.45 4.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 1.027 ' N ' ' O ' ' C' ' 30' ' ' ALA . . . -128.73 -72.4 0.61 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.576 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 1.382 ' HB ' ' CB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -146.51 146.0 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.477 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 1.283 HG23 ' O ' ' B' ' 31' ' ' ILE . 1.9 pp 146.99 -146.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 1.099 ' O ' HD22 ' B' ' 34' ' ' LEU . . . 63.93 72.11 0.74 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.382 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 1.099 HD22 ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER 177.62 -178.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 0.0 111.103 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . 1.315 ' O ' ' CA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER 175.65 -171.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.282 0.563 . . . . 0.0 111.457 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.71 ' N ' ' HG3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -156.17 148.88 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.221 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' A' ' 37' ' ' GLY . . . -138.91 141.1 11.55 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.706 ' O ' ' O ' ' A' ' 39' ' ' VAL . . . -60.26 -77.42 0.18 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.456 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.958 HG22 ' H ' ' C' ' 40' ' ' VAL . 1.4 m -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.964 0.411 . . . . 0.0 110.975 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.625 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.18 -56.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.95 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 1.279 ' HB ' ' CB ' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.04 -78.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.744 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 1.029 ' H ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER 69.59 70.88 0.24 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.025 -179.577 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 1.154 ' CE1' ' HA ' ' B' ' 21' ' ' ALA . 5.1 p90 -63.24 -73.76 0.11 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.872 0.367 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 1.022 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . 162.37 -156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' D' ' 22' ' ' GLU . 0.3 OUTLIER 171.91 104.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' C' ' 24' ' ' VAL . 0.7 OUTLIER -88.74 168.24 12.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.524 HG22 ' H ' ' C' ' 26' ' ' SER . 2.1 p -35.54 143.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.604 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.54 -49.97 6.98 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.524 ' H ' HG22 ' C' ' 24' ' ' VAL . 26.5 m -85.6 102.99 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.665 ' ND2' ' N ' ' C' ' 28' ' ' LYS . 1.6 t30 -109.63 168.34 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.665 ' N ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -127.82 89.53 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 -175.65 43.92 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 1.027 ' O ' ' N ' ' B' ' 30' ' ' ALA . . . -72.6 -26.65 61.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 1.171 ' O ' HG23 ' D' ' 31' ' ' ILE . 9.3 tp 150.68 -152.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.993 ' O ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -148.78 143.97 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 1.029 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -149.48 151.1 23.27 Favored Glycine 0 N--CA 1.46 0.281 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.526 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 1.142 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -141.98 137.45 31.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.364 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . 1.043 ' HA ' ' HB2' ' B' ' 35' ' ' MET . 1.3 tmt? -143.94 144.99 31.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.895 ' O ' ' HE3' ' B' ' 35' ' ' MET . 1.8 p 158.06 -154.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 155.76 -156.16 26.82 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . 1.15 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -151.41 148.09 18.76 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.205 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.7 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 1.5 t -108.29 119.11 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.287 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.958 ' H ' HG22 ' B' ' 39' ' ' VAL . 41.5 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.57 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 1.147 ' O ' HG13 ' D' ' 18' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.234 0.287 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 1.147 HG13 ' O ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 172.71 -173.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 119.918 -0.713 . . . . 0.0 112.208 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 1.108 ' CE1' ' HB3' ' E' ' 21' ' ' ALA . 0.0 OUTLIER 72.76 69.77 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.041 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 1.254 ' CA ' ' HB2' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -146.83 140.06 25.49 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 1.047 ' H ' ' HA ' ' E' ' 21' ' ' ALA . . . 112.41 98.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.692 ' H ' ' CG2' ' E' ' 32' ' ' ILE . 0.1 OUTLIER 75.81 176.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.507 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.919 ' HA ' ' CG ' ' E' ' 22' ' ' GLU . 0.0 OUTLIER -116.85 -154.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.625 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.12 61.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.432 ' HA3' HD21 ' E' ' 27' ' ' ASN . . . 147.48 -22.61 1.52 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.698 ' OG ' ' N ' ' E' ' 29' ' ' GLY . 0.0 OUTLIER -157.32 175.79 13.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.745 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.94 ' HB3' ' C ' ' E' ' 31' ' ' ILE . 76.8 m-20 -156.57 -115.7 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 1.333 ' N ' ' H ' ' E' ' 31' ' ' ILE . 20.8 mtpt -179.8 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.542 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 1.155 ' C ' ' HB ' ' E' ' 31' ' ' ILE . . . -34.1 -125.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.262 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 1.265 ' C ' HG12 ' E' ' 31' ' ' ILE . . . -112.92 36.69 3.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 1.171 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.3 tp 53.34 68.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.964 ' CG1' ' H ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER 161.41 -163.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.347 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.964 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 69.67 71.49 0.99 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.536 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 1.245 HD22 ' N ' ' D' ' 35' ' ' MET . 0.1 OUTLIER -143.75 139.55 29.49 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 1.245 ' N ' HD22 ' D' ' 34' ' ' LEU . 1.7 mpt? -152.89 152.13 31.16 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.888 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.7 OUTLIER -172.29 172.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.003 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' C' ' 37' ' ' GLY . . . 63.74 68.2 1.75 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 1.15 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -63.85 -72.37 0.7 Allowed Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.822 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.7 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 0.1 OUTLIER -120.12 152.29 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 110.715 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.487 ' OXT' ' O ' ' C' ' 40' ' ' VAL . 87.2 t . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.695 ' O ' ' CD1' ' E' ' 19' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.458 -0.061 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 1.136 ' C ' ' CD2' ' E' ' 20' ' ' PHE . 1.0 OUTLIER 159.06 -152.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.709 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 1.136 ' CD2' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 52.5 67.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.026 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 1.254 ' HB2' ' CA ' ' D' ' 20' ' ' PHE . . . -171.51 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . 0.919 ' CG ' ' HA ' ' D' ' 23' ' ' ASP . 1.0 OUTLIER -166.7 -170.45 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.913 -178.79 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.556 ' O ' ' CD ' ' E' ' 22' ' ' GLU . 3.1 p30 -96.76 -155.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.494 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' E' ' 26' ' ' SER . 28.9 m -74.51 -153.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.372 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.49 43.78 0.34 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.432 ' N ' ' O ' ' E' ' 24' ' ' VAL . 7.5 t -145.61 115.7 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.688 ' HB2' ' HG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -152.08 160.3 43.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.461 ' N ' ' OG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -147.04 97.83 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.819 ' HA3' ' O ' ' D' ' 27' ' ' ASN . . . 174.3 -165.68 37.33 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.808 ' C ' HD12 ' E' ' 31' ' ' ILE . . . -131.97 -10.0 3.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.662 0.268 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 1.333 ' H ' ' N ' ' D' ' 28' ' ' LYS . 3.8 mp -161.94 159.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.432 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.742 ' O ' ' O ' ' D' ' 32' ' ' ILE . 0.9 OUTLIER -151.55 151.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 110.958 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.718 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -146.16 142.24 10.36 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' D' ' 34' ' ' LEU . 0.4 OUTLIER -145.03 145.48 31.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . 1.191 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.4 OUTLIER -143.56 140.9 30.45 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 1.191 HG13 ' O ' ' E' ' 35' ' ' MET . 0.3 OUTLIER 159.86 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 121.153 0.502 . . . . 0.0 110.432 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.77 ' HA2' ' H ' ' D' ' 37' ' ' GLY . . . 160.14 -160.68 31.88 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.379 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' D' ' 39' ' ' VAL . . . -151.23 150.29 22.21 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 40' ' ' VAL . 2.3 m -92.6 114.02 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 39' ' ' VAL . 3.0 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.6 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' OE2' ' F' ' 22' ' ' GLU . 0.4 OUTLIER -152.78 151.07 30.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.5 148.59 29.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.22 96.09 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 8.3 t-80 -107.51 111.2 23.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 32.4 m-70 -164.16 -173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.424 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 6.7 mt-30 -139.92 -168.55 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 61.9 tttt 63.55 -117.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.1 pp -152.46 149.65 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.184 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 1.039 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.5 p 170.69 -170.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.062 0.458 . . . . 0.0 111.263 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 1.039 ' H ' HG22 ' F' ' 18' ' ' VAL . 1.1 p90 -151.01 151.57 32.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.077 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.91 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 34.1 m-85 -152.73 150.59 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.12 110.41 22.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CD2' ' F' ' 10' ' ' TYR . 1.5 tp10 -82.79 106.94 15.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -141.42 104.34 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' G' ' 25' ' ' GLY . 6.3 m -74.52 145.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.57 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.79 -106.79 3.4 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -155.39 157.82 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -78.01 123.99 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -81.49 -172.7 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.08 89.42 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.1 179.41 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 1.5 mt -147.61 146.17 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.333 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.76 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 2.1 pp -145.04 144.24 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.261 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.889 ' O ' ' HB2' ' F' ' 34' ' ' LEU . . . -158.89 155.96 27.02 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 1.009 ' HB3' ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER 150.03 -150.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . 1.176 ' O ' ' CA ' ' G' ' 35' ' ' MET . 19.4 mtm -154.16 150.55 28.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.256 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.404 HG21 ' CG ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -148.59 150.2 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.731 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . 66.45 71.12 0.96 Allowed Glycine 0 C--O 1.224 -0.485 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . 1.091 ' O ' ' HA3' ' G' ' 38' ' ' GLY . . . -146.43 142.05 10.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 1.014 ' HA ' ' H ' ' G' ' 39' ' ' VAL . 2.9 m -128.44 -110.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.913 0.387 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 31' ' ' ILE . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.67 166.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -88.34 -154.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -152.15 160.47 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 59.56 -135.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.51 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.0 OUTLIER -156.81 -144.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 7' ' ' ASP . . . . . 0.51 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 19.4 t70 56.2 103.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' G' ' 7' ' ' ASP . 5.2 m -167.25 149.45 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 9' ' ' GLY . . . . . 0.508 ' C ' ' CD1' ' G' ' 10' ' ' TYR . . . -158.98 157.13 28.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.667 ' CE1' HG11 ' G' ' 24' ' ' VAL . 10.3 m-85 -151.09 150.61 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.74 150.7 30.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' OH ' ' H' ' 10' ' ' TYR . 16.2 m -119.9 144.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' G' ' 14' ' ' HIS . 22.4 t-80 -154.71 155.2 34.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.465 ' N ' ' CG ' ' G' ' 13' ' ' HIS . 0.1 OUTLIER -167.51 -157.15 0.22 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -133.17 -100.81 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' H' ' 16' ' ' LYS . 3.6 tttm -40.45 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -143.38 141.52 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.659 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.59 147.52 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.853 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.2 OUTLIER -158.76 156.84 30.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.91 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 170.75 -169.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' H' ' 34' ' ' LEU . . . -119.44 111.68 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.448 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' G' ' 22' ' ' GLU . 1.0 OUTLIER -93.91 106.8 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.568 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' G' ' 23' ' ' ASP . 0.3 OUTLIER -134.2 121.3 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.461 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.69 ' N ' HG11 ' H' ' 24' ' ' VAL . 32.0 m -90.6 -171.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.443 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 64.44 -86.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -158.7 160.28 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 110.539 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -69.18 170.8 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.85 139.16 35.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.651 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' H' ' 28' ' ' LYS . . . -75.53 83.49 0.89 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -163.28 -134.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.417 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 24.0 mt -142.19 140.74 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 1.011 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 4.8 mp -145.48 144.05 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' F' ' 34' ' ' LEU . . . -145.1 143.02 11.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 1.009 ' O ' ' HB3' ' F' ' 34' ' ' LEU . 0.3 OUTLIER -146.91 145.04 29.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.711 -179.6 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . 1.227 ' O ' ' HB3' ' H' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.45 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.823 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 1.204 HG13 ' O ' ' G' ' 35' ' ' MET . 1.0 OUTLIER 151.99 -149.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.732 ' O ' ' N ' ' F' ' 38' ' ' GLY . . . 64.14 69.6 1.29 Allowed Glycine 0 C--O 1.221 -0.684 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . 1.091 ' HA3' ' O ' ' F' ' 38' ' ' GLY . . . 147.17 -142.81 10.62 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 1.014 ' H ' ' HA ' ' F' ' 39' ' ' VAL . 90.9 t -86.3 -82.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.941 0.4 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.72 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.7 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.541 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -167.81 99.59 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' H' ' 4' ' ' PHE . 18.0 p90 -132.63 63.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 5' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' H' ' 5' ' ' ARG . 3.7 mmp_? -71.8 154.46 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.439 ' HD1' ' C ' ' H' ' 6' ' ' HIS . 4.6 t-80 -84.99 -48.3 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.69 136.19 38.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m -170.23 120.53 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.26 17.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.469 ' CZ ' HG12 ' H' ' 12' ' ' VAL . 48.2 t80 -147.55 145.88 29.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 110.413 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.64 147.95 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.506 HG22 HG12 ' I' ' 12' ' ' VAL . 3.1 m -130.34 153.16 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.998 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.53 ' C ' ' CG ' ' H' ' 14' ' ' HIS . 16.8 p80 -176.81 128.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.555 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -157.95 -155.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' H' ' 16' ' ' LYS . 8.7 tp60 -125.06 -161.3 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.838 ' HB2' ' O ' ' G' ' 16' ' ' LYS . 12.0 mptt 36.04 -101.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.82 142.39 29.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.951 ' O ' HG21 ' I' ' 18' ' ' VAL . 51.9 t -151.79 148.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.766 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.766 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -159.02 159.21 34.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.718 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' H' ' 19' ' ' PHE . 0.2 OUTLIER 177.62 -177.94 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.138 0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.92 149.7 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.364 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -126.27 115.31 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.478 ' C ' HG22 ' H' ' 24' ' ' VAL . 7.3 t0 -129.97 117.44 20.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.69 HG11 ' N ' ' G' ' 24' ' ' VAL . 0.0 OUTLIER -161.23 94.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.468 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.07 -96.52 0.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 38.0 p -141.52 84.7 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.747 ' H ' ' NZ ' ' H' ' 28' ' ' LYS . 5.6 p30 -161.33 93.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.747 ' NZ ' ' H ' ' H' ' 27' ' ' ASN . 2.4 mptp? -140.56 84.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . 168.21 69.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.581 ' O ' ' HB1' ' G' ' 30' ' ' ALA . . . 175.74 -140.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' I' ' 31' ' ' ILE . 8.0 mt -145.54 144.85 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.111 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 1.011 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 2.9 mt -145.76 144.87 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.356 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.874 ' C ' HD23 ' H' ' 34' ' ' LEU . . . -153.77 150.02 21.61 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.874 HD23 ' C ' ' H' ' 33' ' ' GLY . 0.0 OUTLIER -146.67 147.2 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . 1.227 ' HB3' ' O ' ' G' ' 35' ' ' MET . 0.1 OUTLIER -151.69 149.45 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.359 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 1.16 ' H ' ' CG2' ' G' ' 36' ' ' VAL . 0.4 OUTLIER -171.1 167.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 111.659 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.654 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . 63.62 68.22 1.75 Allowed Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.737 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 1.053 ' O ' ' CA ' ' I' ' 38' ' ' GLY . . . -161.18 158.56 30.24 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 1.152 ' O ' HG12 ' I' ' 39' ' ' VAL . 2.6 t -57.12 -87.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.581 -0.364 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.914 ' N ' HG12 ' H' ' 39' ' ' VAL . 1.8 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 1' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' I' ' 1' ' ' ASP . 11.1 p-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -134.5 74.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' I' ' 2' ' ' ALA . 48.3 mt-10 58.85 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -146.26 -68.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 5' ' ' ARG . . . . . 0.527 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 44.3 ttp180 -153.65 102.28 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.461 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' I' ' 5' ' ' ARG . 29.4 m-70 -145.41 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.35 -96.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m 63.8 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 9' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' I' ' 10' ' ' TYR . . . -149.77 146.92 16.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' J' ' 10' ' ' TYR . 32.3 m-85 -145.27 145.15 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.338 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' J' ' 11' ' ' GLU . 7.0 pt-20 -150.31 148.4 28.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.545 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.535 HG22 HG12 ' J' ' 12' ' ' VAL . 3.0 m -137.92 144.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' I' ' 14' ' ' HIS . 27.2 p80 -157.52 163.88 37.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.5 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 3.3 t-160 80.97 -152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' H ' ' H' ' 14' ' ' HIS . 2.2 mt-30 64.74 142.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' J' ' 16' ' ' LYS . 37.0 tttp -81.29 -58.95 2.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 1.172 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.3 pp -149.49 145.83 27.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 1.016 HG22 ' H ' ' I' ' 19' ' ' PHE . 3.7 p 159.99 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 1.016 ' H ' HG22 ' I' ' 18' ' ' VAL . 19.3 t80 -160.16 159.37 31.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER -149.76 149.85 31.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.228 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.13 115.96 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.469 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -103.98 105.26 15.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.668 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -123.98 124.63 43.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.845 HG12 ' H ' ' I' ' 25' ' ' GLY . 21.4 t -148.43 179.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.845 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 95.98 -93.75 1.58 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -146.31 110.53 5.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 6.9 m-20 -90.87 177.18 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.455 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.619 ' HB2' ' HB3' ' J' ' 30' ' ' ALA . 0.0 OUTLIER -83.26 -179.73 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.07 100.71 0.83 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.912 ' N ' ' HB1' ' J' ' 30' ' ' ALA . . . -179.64 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 1.122 ' H ' ' N ' ' J' ' 31' ' ' ILE . 30.7 mt -155.0 153.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-O 120.933 0.397 . . . . 0.0 110.78 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.62 HG23 ' O ' ' H' ' 31' ' ' ILE . 0.1 OUTLIER -151.41 151.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.209 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.984 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -156.59 153.52 24.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.984 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -158.23 157.78 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.447 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' J' ' 35' ' ' MET . 7.2 ttt -176.16 175.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.471 . . . . 0.0 111.234 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 1.028 HG13 ' O ' ' I' ' 35' ' ' MET . 0.0 OUTLIER 163.57 -162.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.574 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' J' ' 37' ' ' GLY . . . 59.94 68.87 1.47 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . 1.305 ' N ' ' O ' ' J' ' 37' ' ' GLY . . . -167.37 164.63 38.05 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 1.26 ' O ' HG12 ' J' ' 39' ' ' VAL . 9.7 p -27.07 -96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.643 0.259 . . . . 0.0 110.367 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 1.111 ' N ' HG13 ' I' ' 39' ' ' VAL . 11.1 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.05 118.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -156.27 0.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.53 -172.6 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 44.71 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -55.22 -74.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.92 109.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.86 36.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 9' ' ' GLY . . . . . 0.576 ' HA2' ' H ' ' I' ' 10' ' ' TYR . . . -155.51 155.92 26.61 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' I' ' 10' ' ' TYR . 1.6 t80 -60.3 -70.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.624 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 2.2 tp10 -153.72 154.26 33.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' J' ' 12' ' ' VAL . 26.1 m -131.96 95.43 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.414 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 4.6 m80 -82.19 179.93 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.5 t60 76.06 135.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -141.51 -0.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' I' ' 16' ' ' LYS . 49.2 tttp -71.04 83.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 1.172 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 22.5 mt 60.28 69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' J' ' 19' ' ' PHE . 19.5 m -154.31 150.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' J' ' 18' ' ' VAL . 9.6 m-85 -149.53 149.78 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.307 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' J' ' 12' ' ' VAL . 0.2 OUTLIER -147.62 145.37 28.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.282 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.03 112.03 23.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.32 98.77 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.468 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' CB ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -144.76 154.37 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.887 HG23 ' H ' ' J' ' 26' ' ' SER . 5.0 m -60.42 -177.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.88 -6.37 0.12 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.887 ' H ' HG23 ' J' ' 24' ' ' VAL . 8.7 t -93.85 83.99 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.486 ' CB ' ' OD2' ' J' ' 23' ' ' ASP . 6.5 t-20 -173.93 -142.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.472 ' H ' ' CG ' ' J' ' 27' ' ' ASN . 84.0 mttt -62.99 96.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.443 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.671 ' O ' ' HB ' ' J' ' 32' ' ' ILE . . . -145.47 -167.09 12.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 1.046 ' O ' HG22 ' J' ' 31' ' ' ILE . . . -21.95 136.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.604 0.24 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 1.122 ' N ' ' H ' ' I' ' 31' ' ' ILE . 14.1 tt 59.23 69.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.206 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.671 ' HB ' ' O ' ' J' ' 29' ' ' GLY . 0.3 OUTLIER -162.93 161.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.811 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.525 ' N ' HG23 ' J' ' 32' ' ' ILE . . . -150.72 151.13 23.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.666 ' CB ' ' HA ' ' I' ' 34' ' ' LEU . 0.1 OUTLIER -159.77 156.52 27.74 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.151 0.501 . . . . 0.0 110.22 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . 1.207 ' O ' HG22 ' J' ' 36' ' ' VAL . 0.0 OUTLIER 162.83 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.536 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 1.207 HG22 ' O ' ' J' ' 35' ' ' MET . 1.3 m 75.42 72.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 1.305 ' O ' ' N ' ' I' ' 38' ' ' GLY . . . -143.13 136.58 7.12 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . 0.985 ' O ' ' O ' ' J' ' 39' ' ' VAL . . . 149.04 -148.58 20.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 1.26 HG12 ' O ' ' I' ' 39' ' ' VAL . 0.8 OUTLIER -2.64 -134.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.15 0.475 . . . . 0.0 110.76 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 1.071 ' N ' HG13 ' J' ' 39' ' ' VAL . 89.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.546 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.788 ' O ' ' O ' ' B' ' 9' ' ' GLY . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.878 0.37 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -65.91 2.75 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.795 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 3.4 p90 -153.24 149.63 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.841 ' H ' ' H ' ' B' ' 11' ' ' GLU . 69.3 mm-40 -155.46 156.6 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.937 ' O ' ' HB ' ' B' ' 12' ' ' VAL . 6.5 t 95.99 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 13.1 p80 -129.44 163.67 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 33.9 m80 -164.2 -118.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.688 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 7.7 pt20 -179.8 161.78 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' B' ' 14' ' ' HIS . 79.0 mttt 58.86 -105.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.541 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.44 144.3 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 19' ' ' PHE . 5.4 p 176.08 -174.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.944 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -159.33 158.12 31.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -157.52 156.36 31.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD21 ' B' ' 34' ' ' LEU . . . -149.94 107.74 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.512 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' B' ' 22' ' ' GLU . 1.4 pt-20 176.57 158.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 1.6 t70 -81.6 139.66 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 3.2 p -76.77 155.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -57.43 4.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -147.68 164.9 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -131.1 104.52 7.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' B' ' 27' ' ' ASN . 8.3 ptpt -142.71 96.31 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.79 -178.25 19.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -69.29 -78.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.2 mt -147.68 146.83 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.29 146.85 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 149.05 20.84 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.84 150.06 29.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.71 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 tpt -149.23 146.59 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.312 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 15.7 m -150.84 150.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.1 149.05 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 150.64 22.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' B' ' 39' ' ' VAL . 3.3 m -123.77 135.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.618 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' VAL . 8.8 p . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.86 -76.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -112.17 158.18 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' B' ' 4' ' ' PHE . 6.6 p90 -136.63 -167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 59.48 154.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -73.43 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.57 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.66 135.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.788 ' O ' ' O ' ' A' ' 8' ' ' SER . . . -149.27 148.61 20.14 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.795 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 40.6 m-85 -145.41 143.09 29.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.392 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.841 ' H ' ' H ' ' A' ' 11' ' ' GLU . 40.5 tt0 -146.62 147.04 30.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.937 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.0 m -109.2 160.05 8.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.53 ' H ' ' HA ' ' A' ' 13' ' ' HIS . 2.0 t60 -165.83 147.23 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.688 ' CE1' ' H ' ' A' ' 15' ' ' GLN . 5.6 t60 -168.99 -165.54 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.646 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 5.7 tt0 -131.26 -119.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.433 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' B' ' 15' ' ' GLN . 6.0 mptp? -20.92 -83.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.88 145.91 27.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.208 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.466 HG21 ' ND1' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -151.58 150.99 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -147.19 146.07 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.264 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.948 ' O ' ' HB2' ' C' ' 20' ' ' PHE . 51.1 m-85 -150.21 148.07 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.656 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 22' ' ' GLU . . . -149.57 122.83 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER 171.55 172.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.742 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' C' ' 27' ' ' ASN . 2.2 p30 -110.8 148.39 32.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.482 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' C' ' 25' ' ' GLY . 1.4 m -81.05 166.27 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.18 -88.98 1.37 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' C' ' 26' ' ' SER . 6.3 p -149.71 175.95 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' B' ' 28' ' ' LYS . 1.8 t30 -123.16 151.03 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 36.9 mttt -111.11 -169.98 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.654 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.08 91.63 0.16 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.886 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -148.42 -174.04 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.88 142.8 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.19 144.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.72 151.43 23.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -167.04 166.21 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.075 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptm -153.58 152.36 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' C' ' 36' ' ' VAL . 33.6 m -151.53 150.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.33 151.46 23.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.15 147.39 17.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' A' ' 39' ' ' VAL . 2.7 p -123.42 145.92 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.621 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.415 ' OXT' ' O ' ' A' ' 40' ' ' VAL . 5.6 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' C' ' 2' ' ' ALA . 12.2 p-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' C' ' 1' ' ' ASP . . . 48.75 21.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 18' ' ' VAL . 2.1 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 17' ' ' LEU . 41.9 t -155.68 154.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.586 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -161.8 159.89 27.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.948 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER 163.47 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.06 121.55 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.415 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -120.76 136.9 54.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.09 142.28 26.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.646 HG22 ' N ' ' C' ' 25' ' ' GLY . 3.8 p -75.55 166.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.646 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 73.28 -165.73 54.75 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 26' ' ' SER . 13.5 p -101.46 161.21 13.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' B' ' 23' ' ' ASP . 22.7 t-20 -77.52 133.66 38.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' D' ' 26' ' ' SER . 2.0 mmmt -87.94 177.06 7.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.33 92.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.19 -162.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.67 144.69 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' D' ' 32' ' ' ILE . 13.0 mt -148.43 146.98 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.605 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.579 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.72 146.11 15.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.791 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.3 OUTLIER -149.9 149.82 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.693 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -150.33 147.65 27.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.666 HG22 HG12 ' B' ' 36' ' ' VAL . 31.0 m -151.29 150.86 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.74 149.63 21.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.36 148.35 19.47 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 40' ' ' VAL . 11.0 m -116.44 149.57 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 39' ' ' VAL . 21.9 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.802 0.334 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.439 HG12 HG12 ' E' ' 18' ' ' VAL . 1.4 p -150.17 149.76 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.883 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 54.8 t80 -152.74 149.82 28.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' E' ' 20' ' ' PHE . 6.1 p90 174.35 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.474 . . . . 0.0 111.249 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.21 124.51 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -113.61 116.25 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.793 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -141.89 129.76 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.149 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' C' ' 24' ' ' VAL . 2.9 m -94.67 -169.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.539 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.551 ' O ' HG13 ' C' ' 24' ' ' VAL . . . 64.81 -169.7 25.59 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.487 ' HB2' ' HZ3' ' C' ' 28' ' ' LYS . 5.0 p -92.51 132.59 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.473 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.42 -179.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.507 ' H ' ' HD3' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -125.67 162.55 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.38 92.59 0.5 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.932 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -153.34 -148.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.546 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mt -145.6 145.11 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.481 ' O ' HG23 ' C' ' 32' ' ' ILE . 5.0 mt -148.57 147.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.426 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -149.04 147.07 17.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.426 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.56 147.91 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.425 ' C ' HG13 ' D' ' 36' ' ' VAL . 25.1 ptm -149.51 147.42 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.4 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.573 ' H ' HG12 ' C' ' 36' ' ' VAL . 32.4 m -153.76 152.93 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.38 153.1 24.58 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.3 147.43 17.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.71 135.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 110.555 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.537 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.439 HG12 HG12 ' D' ' 18' ' ' VAL . 11.8 m . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.834 0.349 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.883 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 18.9 m-85 -159.33 157.76 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.61 -170.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.54 100.6 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.529 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CE2' ' E' ' 20' ' ' PHE . 13.7 mt-10 -101.58 90.92 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -134.22 151.67 51.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.87 172.25 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.435 ' H ' HG22 ' D' ' 24' ' ' VAL . . . 72.35 -134.05 20.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -127.63 171.67 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.62 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.0 170.1 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.493 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -124.02 72.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.22 160.97 23.39 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.932 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -84.33 -17.92 37.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.401 HG21 HD13 ' E' ' 31' ' ' ILE . 14.5 pt -149.93 146.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' E' ' 32' ' ' ILE . 5.5 mm -148.38 146.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.325 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.23 148.61 20.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -151.53 149.29 29.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' E' ' 36' ' ' VAL . 1.5 ptt? -151.95 149.96 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.483 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.466 HG22 HG12 ' D' ' 36' ' ' VAL . 20.4 m -156.1 155.36 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.44 153.84 25.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.95 151.6 23.37 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.35 160.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.603 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 60.9 m-85 -63.45 -70.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.415 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.799 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 5.5 pt-20 -150.35 147.43 27.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.119 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' GLU . 7.4 p -101.44 129.43 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.711 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 20.7 p80 -168.26 -173.53 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 3.9 m80 -177.05 -6.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.498 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.5 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 20.4 mt-30 63.02 167.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 59.91 -117.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 1.099 ' O ' HG13 ' F' ' 18' ' ' VAL . 2.2 pp -148.81 145.21 27.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.014 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 1.099 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER 164.83 -162.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.059 0.456 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.785 ' HD2' ' H ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -153.7 152.84 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.46 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.851 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 20.6 m-85 -155.46 154.38 31.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 120.08 36.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' G' ' 23' ' ' ASP . 12.0 mp0 -86.34 122.86 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.659 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 25.3 t0 -149.66 102.83 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 4.6 p -50.39 143.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.09 -164.04 40.74 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 p -96.51 167.03 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -74.89 132.14 41.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' F' ' 30' ' ' ALA . 43.8 mmtt -84.49 -161.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.473 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.19 77.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' F' ' 28' ' ' LYS . . . -151.42 -168.72 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.415 HG21 HD13 ' F' ' 31' ' ' ILE . 10.7 mt -146.06 144.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -149.58 148.16 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.633 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.69 20.15 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.577 ' O ' HD12 ' F' ' 34' ' ' LEU . 0.3 OUTLIER -151.28 148.95 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.578 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -149.61 147.93 28.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 0.5 OUTLIER -147.89 147.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.567 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.21 149.18 20.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.03 157.05 27.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -128.65 140.59 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.635 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.76 -54.73 11.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -103.11 22.11 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 43.21 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -79.68 107.25 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -78.13 -100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.8 32.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -75.89 172.74 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.79 148.75 20.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' F' ' 10' ' ' TYR . 4.3 p90 -151.28 148.45 28.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.528 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.799 ' H ' ' HA ' ' F' ' 11' ' ' GLU . 9.3 mt-10 -148.34 148.54 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.258 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' H' ' 12' ' ' VAL . 3.6 t -97.21 146.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.591 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -164.67 87.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -108.73 -152.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -135.23 -78.95 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 20.1 mtpp -74.54 -82.0 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -146.63 145.07 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.444 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.64 146.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.73 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -156.48 155.09 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 20.9 p90 168.23 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.96 152.91 37.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.581 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.641 ' HB3' ' H ' ' H' ' 23' ' ' ASP . 26.4 tt0 -118.05 100.58 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.659 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 32.5 t0 -126.42 100.1 6.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.264 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.443 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.6 m -123.76 -169.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.518 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 84.95 -82.94 1.65 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.8 m -154.82 107.46 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -83.54 119.47 24.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -92.11 -174.67 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.41 100.81 0.56 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -152.37 -164.98 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 mt -145.69 144.88 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.197 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.33 145.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.77 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.897 ' N ' HD23 ' G' ' 34' ' ' LEU . 1.1 pt? -155.08 153.26 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.758 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mtm -148.79 148.25 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.316 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.469 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.02 147.07 17.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.21 148.21 19.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.25 142.21 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 110.529 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.512 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 -48.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.52 140.55 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -156.15 -27.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -85.3 95.84 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 0.0 OUTLIER -61.68 -9.04 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.625 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -50.31 -32.67 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -52.9 149.2 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' H' ' 10' ' ' TYR . . . -153.55 151.87 23.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 0.1 OUTLIER -151.96 152.07 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.759 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 0.551 ' OE1' ' ND1' ' H' ' 13' ' ' HIS . 4.8 tm-20 -156.46 153.68 29.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.639 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' G' ' 12' ' ' VAL . 1.5 m -112.36 119.72 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.629 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.551 ' ND1' ' OE1' ' H' ' 11' ' ' GLU . 1.0 OUTLIER -68.31 -140.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' CD2' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -134.73 151.89 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.68 ' H ' ' CE1' ' I' ' 14' ' ' HIS . 0.2 OUTLIER 176.12 105.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' I' ' 16' ' ' LYS . 8.7 tttt 31.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.2 pp -145.39 143.24 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.646 HG13 HG23 ' I' ' 18' ' ' VAL . 0.2 OUTLIER -148.22 146.58 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.484 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.9 OUTLIER -156.11 152.87 28.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.741 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.609 ' HB3' ' H ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 168.29 -166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.77 108.89 12.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.272 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -86.55 101.3 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.64 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.641 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 37.7 t0 -124.97 117.04 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.639 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -121.02 -176.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -92.31 1.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -153.79 132.26 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -81.32 178.07 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -132.02 165.78 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 97.08 1.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -157.72 -144.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.545 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 mt -145.86 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.271 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.04 145.51 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.483 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.863 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.27 147.48 17.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.863 HD12 ' C ' ' H' ' 33' ' ' GLY . 6.0 mp -149.2 148.41 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.514 ' C ' HG12 ' H' ' 36' ' ' VAL . 21.1 ttt -149.03 145.98 27.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.187 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.514 HG12 ' C ' ' H' ' 35' ' ' MET . 0.5 OUTLIER -158.49 157.8 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.823 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.483 ' N ' HG23 ' H' ' 36' ' ' VAL . . . -157.15 156.63 27.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.79 148.82 20.38 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.61 145.64 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.553 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 2' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -80.89 148.03 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 3' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' I' ' 2' ' ' ALA . 23.8 mt-10 58.72 152.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.593 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.49 -120.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -138.59 -10.7 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 1.5 m80 -98.98 -167.56 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' CE1' ' J' ' 10' ' ' TYR . 4.6 m-20 -74.6 138.44 42.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.449 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.695 ' H ' ' N ' ' J' ' 9' ' ' GLY . 4.1 t -89.28 25.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.12 70.06 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' J' ' 10' ' ' TYR . 77.0 t80 -142.55 141.8 32.09 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 5.9 pt-20 -152.35 149.05 28.21 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.495 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' J' ' 12' ' ' VAL . 5.9 m -129.34 120.55 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -141.73 97.57 3.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' I' ' 15' ' ' GLN . 60.1 t-80 -108.2 170.41 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.806 ' N ' ' ND1' ' I' ' 14' ' ' HIS . 7.6 tt0 -90.58 -105.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' H' ' 16' ' ' LYS . 6.8 mmtt -34.45 -90.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.764 HD23 ' C ' ' I' ' 17' ' ' LEU . 0.7 OUTLIER -147.66 145.68 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.538 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.646 HG23 HG13 ' H' ' 18' ' ' VAL . 14.7 p -147.33 145.83 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.549 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 3.0 t80 -153.87 150.5 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.334 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.584 ' CD1' ' OE2' ' I' ' 22' ' ' GLU . 0.3 OUTLIER 175.15 -173.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.054 0.454 . . . . 0.0 111.305 179.76 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.28 124.41 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.584 ' OE2' ' CD1' ' I' ' 20' ' ' PHE . 9.3 mp0 -99.45 103.82 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 56.5 t0 -122.52 115.45 22.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.469 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.639 HG13 ' H ' ' H' ' 24' ' ' VAL . 0.3 OUTLIER -140.8 -163.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.569 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 77.73 -80.9 1.29 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -149.01 109.43 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -84.54 173.04 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -113.61 156.7 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.63 87.73 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.888 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -146.94 -123.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.591 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 31' ' ' ILE . 38.7 mt -145.26 144.03 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.244 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' I' ' 32' ' ' ILE . 2.3 mt -147.04 145.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.827 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.7 148.86 20.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.827 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.7 mp -150.32 149.89 30.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.442 ' C ' HG13 ' I' ' 36' ' ' VAL . 50.5 mtt -150.94 147.71 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.512 HG12 HG22 ' J' ' 36' ' ' VAL . 18.3 m -154.35 154.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.65 152.07 23.73 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.12 149.19 20.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.43 134.41 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.515 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 1' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' J' ' 2' ' ' ALA . 20.2 t0 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 2' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' J' ' 1' ' ' ASP . . . -73.39 -4.67 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.49 78.51 6.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.0 107.87 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 46.59 -102.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 6' ' ' HIS . . . . . 0.484 ' ND1' ' O ' ' J' ' 6' ' ' HIS . 17.1 p80 -175.25 107.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -159.85 -114.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.573 ' C ' ' H ' ' I' ' 8' ' ' SER . 0.7 OUTLIER 72.48 32.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 9' ' ' GLY . . . . . 0.695 ' N ' ' H ' ' I' ' 8' ' ' SER . . . 159.28 -157.54 28.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' I' ' 10' ' ' TYR . 0.2 OUTLIER -157.11 156.25 32.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.688 ' CB ' HG22 ' I' ' 12' ' ' VAL . 0.0 OUTLIER -146.55 143.11 28.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' I' ' 12' ' ' VAL . 0.9 OUTLIER -97.97 -141.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.628 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 0.1 OUTLIER 153.43 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.506 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 1.3 m170 163.03 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.565 ' O ' ' C ' ' J' ' 16' ' ' LYS . 10.2 mp0 60.45 -165.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' J' ' 15' ' ' GLN . 3.5 tmtt? -23.23 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 4.6 tp -152.53 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.47 148.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.511 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 36.2 t80 -151.77 149.11 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.11 160.51 30.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.41 113.85 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.424 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -91.61 103.79 16.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.22 114.77 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.4 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.512 HG13 ' H ' ' I' ' 24' ' ' VAL . 0.5 OUTLIER -148.89 176.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.543 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.502 ' H ' HG12 ' J' ' 24' ' ' VAL . . . 95.85 -93.53 1.57 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -138.57 105.62 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 110.515 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.475 ' HB3' ' HZ2' ' I' ' 28' ' ' LYS . 7.0 m-20 -92.99 175.94 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.534 ' HD2' ' H ' ' J' ' 28' ' ' LYS . 0.1 OUTLIER -99.92 151.31 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.92 104.17 3.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.846 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.49 -111.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.44 146.15 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' J' ' 32' ' ' ILE . 18.5 mm -147.03 145.39 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.222 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 149.31 21.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -149.61 148.06 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.445 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.456 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -151.47 148.52 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.512 HG22 HG12 ' I' ' 36' ' ' VAL . 18.9 m -155.84 155.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.653 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 153.89 25.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.47 149.62 21.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.0 153.54 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.598 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.46 68.61 1.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -157.39 156.55 32.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.32 152.91 30.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.28 133.16 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -158.68 139.95 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.622 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 1.7 t-80 -170.53 -154.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -130.45 -167.63 1.85 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 43.8 mttm 42.62 -105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.62 144.01 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.12 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -148.29 146.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.432 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -151.7 150.54 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.616 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.882 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 41.8 m-85 -155.03 153.74 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 34' ' ' LEU . . . -165.29 114.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.62 173.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.784 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 26' ' ' SER . 2.9 t70 -90.8 125.24 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.454 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.667 ' O ' HG13 ' B' ' 24' ' ' VAL . 2.2 t -103.82 119.84 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.31 -80.41 0.36 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 94.8 p -139.14 115.7 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.607 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -95.47 124.88 39.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -96.87 -165.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.468 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.69 87.4 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -144.67 -175.59 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.476 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 31' ' ' ILE . 47.2 mt -145.81 144.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.188 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -148.97 146.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.17 148.96 20.75 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -149.88 147.87 28.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -148.01 145.59 28.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HG22 ' B' ' 36' ' ' VAL . 16.0 m -149.76 149.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.95 148.27 19.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.68 149.49 21.34 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -115.88 136.15 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.7 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.613 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.44 -73.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -104.15 -178.62 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -52.45 154.81 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -71.52 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -69.9 -170.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.85 159.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t -62.61 -25.38 68.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.94 68.98 1.45 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -144.71 142.85 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -149.44 148.23 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.784 0.326 . . . . 0.0 110.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' C' ' 20' ' ' PHE . 13.0 m -126.39 137.94 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 176.92 144.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.724 ' CG ' HG21 ' B' ' 18' ' ' VAL . 36.6 m-70 -139.28 -120.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -146.68 -50.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 19.3 mmtm -87.57 -91.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 pp -145.8 144.09 30.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.288 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.724 HG21 ' CG ' ' B' ' 14' ' ' HIS . 42.8 t -153.06 150.37 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.517 ' C ' ' CG ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.89 158.82 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.882 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 171.6 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.171 0.51 . . . . 0.0 111.619 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 117.8 14.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' C' ' 23' ' ' ASP . 37.0 mm-40 -86.47 138.98 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 111.126 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 12.3 t70 -149.28 104.97 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.12 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 1.054 HG12 ' H ' ' B' ' 25' ' ' GLY . 3.5 t -136.39 -154.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 1.054 ' H ' HG12 ' B' ' 24' ' ' VAL . . . 76.09 -71.73 1.94 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -167.63 98.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -79.72 144.31 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -170.4 2.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 95.73 0.38 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.471 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -147.75 -168.1 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' B' ' 31' ' ' ILE . 13.4 mt -144.41 143.39 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.305 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -145.53 142.88 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.4 152.62 24.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.65 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.5 pt? -160.01 157.93 29.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' B' ' 36' ' ' VAL . 13.5 mtt -150.38 149.36 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.181 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.618 HG22 HG12 ' A' ' 36' ' ' VAL . 24.6 m -151.91 151.12 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.717 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.16 152.51 24.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.11 150.69 22.59 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.81 142.7 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.616 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.33 166.8 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 146.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.526 ' CD2' HG21 ' D' ' 36' ' ' VAL . 3.6 t80 -153.35 150.6 29.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 18.5 p90 176.15 -175.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.462 . . . . 0.0 111.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.87 126.76 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.329 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.1 102.08 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.588 ' OD1' ' OG ' ' D' ' 26' ' ' SER . 2.2 t70 -121.82 95.67 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.325 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.63 HG22 ' N ' ' C' ' 25' ' ' GLY . 2.6 p -141.29 166.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.62 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.63 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 113.07 -79.95 0.27 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 38.8 p -156.23 105.97 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -72.46 167.29 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' C' ' 30' ' ' ALA . 0.0 OUTLIER -138.61 162.15 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.72 76.11 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -134.63 -159.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 110.69 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' D' ' 31' ' ' ILE . 12.6 mt -145.44 146.7 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.39 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.883 HD12 ' N ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -146.0 141.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.472 ' HA3' HG13 ' D' ' 32' ' ' ILE . . . -144.68 144.76 13.68 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.878 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -150.62 148.21 28.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.467 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.465 ' SD ' ' C ' ' C' ' 34' ' ' LEU . 3.7 mpp? -146.44 146.76 30.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.977 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.903 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.7 OUTLIER -151.35 148.43 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.41 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -153.76 152.84 24.39 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -149.24 147.81 18.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' C' ' 40' ' ' VAL . 2.8 m -125.52 140.89 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.581 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' D' ' 40' ' ' VAL . 15.8 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.76 0.314 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.12 147.66 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 0.0 110.633 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 1.6 t80 -152.82 149.76 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.574 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 171.56 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.83 116.98 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -109.11 118.25 36.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.57 ' OD2' ' ND2' ' E' ' 27' ' ' ASN . 6.3 t70 -147.06 138.58 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.726 HG13 ' O ' ' D' ' 24' ' ' VAL . 7.4 p -71.75 111.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' C' ' 24' ' ' VAL . . . 125.96 -146.94 16.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.588 ' OG ' ' OD1' ' C' ' 23' ' ' ASP . 3.7 m -139.63 173.56 11.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.593 ' O ' ' O ' ' D' ' 28' ' ' LYS . 24.9 m120 -57.53 107.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.291 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.637 ' O ' ' O ' ' D' ' 29' ' ' GLY . 59.4 mmtt -51.79 -156.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.456 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.637 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -37.38 170.56 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -22.8 139.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.532 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' C' ' 31' ' ' ILE . 3.8 mt -163.82 161.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.553 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' E' ' 32' ' ' ILE . 3.6 tt 156.4 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 1.037 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 66.23 70.31 1.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.594 -0.603 . . . . 0.0 111.594 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.859 HD12 ' O ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -144.83 141.06 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.918 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.1 tmt? -157.51 156.91 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.903 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 11.6 m -158.42 158.88 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.69 ' O ' ' HA3' ' E' ' 37' ' ' GLY . . . -154.87 152.3 23.86 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -154.08 152.76 24.31 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG12 ' E' ' 39' ' ' VAL . 1.4 m -119.01 164.66 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' C' ' 40' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.57 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.555 ' CG2' ' CE2' ' E' ' 20' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.703 0.287 . . . . 0.0 110.433 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 57.1 t80 -155.68 153.19 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.572 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 175.98 -175.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.135 0.493 . . . . 0.0 111.244 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 107.38 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.53 73.22 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 5.5 t70 -106.14 118.75 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.076 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.634 HG23 ' N ' ' E' ' 25' ' ' GLY . 0.9 OUTLIER -112.6 -172.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.634 ' N ' HG23 ' E' ' 24' ' ' VAL . . . 79.31 -101.51 1.87 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 5.8 t -136.26 175.39 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' OD2' ' D' ' 23' ' ' ASP . 2.7 m-80 -126.8 -173.81 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -97.3 136.94 37.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -91.8 113.76 4.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 170.16 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.539 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' D' ' 31' ' ' ILE . 59.6 mt -147.96 145.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.895 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' D' ' 32' ' ' ILE . 47.6 mt -145.49 147.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.537 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.713 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -156.19 152.35 23.77 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.859 ' O ' HD12 ' D' ' 34' ' ' LEU . 1.6 mt -153.88 154.47 33.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.682 0.277 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . 1.046 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.0 OUTLIER -150.07 144.85 26.02 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 1.046 HG13 ' O ' ' E' ' 35' ' ' MET . 0.0 OUTLIER 168.08 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.018 0.437 . . . . 0.0 110.754 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.69 ' HA3' ' O ' ' D' ' 37' ' ' GLY . . . 168.26 -166.99 39.91 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.99 155.43 26.29 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' D' ' 39' ' ' VAL . 31.0 m -114.91 141.19 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.547 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 9' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.43 150.06 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -150.89 149.32 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -121.59 158.04 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -174.69 142.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 3.3 t-80 -170.28 -161.15 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' F' ' 17' ' ' LEU . 12.1 pt20 -125.36 -167.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 59.5 mttm 39.27 -93.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.632 HD12 ' O ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -146.53 144.63 29.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.093 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.654 HG12 HG22 ' G' ' 18' ' ' VAL . 0.3 OUTLIER -151.17 148.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 110.506 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD12 ' F' ' 34' ' ' LEU . 0.1 OUTLIER -154.49 153.5 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.526 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.799 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 32.5 m-85 -157.96 157.67 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.606 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -161.84 114.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -178.1 172.62 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 17.5 t70 -98.79 134.18 42.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG13 ' G' ' 24' ' ' VAL . 6.0 t -97.27 132.55 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.9 -85.63 0.4 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -143.73 117.41 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -84.07 133.93 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' F' ' 28' ' ' LYS . 10.3 mptt -93.01 -173.0 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.79 87.61 0.21 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.97 -171.05 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.416 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.2 mt -145.32 144.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.253 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.411 HD13 HG21 ' F' ' 32' ' ' ILE . 1.9 mt -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -152.47 150.55 22.38 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.776 HD12 ' CE1' ' F' ' 19' ' ' PHE . 1.1 pt? -158.53 156.95 31.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttt -150.92 148.97 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.57 HG12 HG22 ' G' ' 36' ' ' VAL . 15.7 m -150.05 149.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.696 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.68 149.76 21.45 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.37 151.86 23.65 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.12 123.09 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.626 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.1 -144.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 54.58 80.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -63.93 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 5' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' G' ' 6' ' ' HIS . 15.4 mmm180 56.53 -177.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.3 OUTLIER -60.8 -132.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 7' ' ' ASP . . . . . 0.585 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 23.5 t0 -160.12 166.37 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' H' ' 9' ' ' GLY . 0.7 OUTLIER 56.61 -127.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 9' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' F' ' 9' ' ' GLY . . . 62.69 68.41 1.68 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' G' ' 10' ' ' TYR . 15.6 p90 -152.82 151.16 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -151.56 151.15 31.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.622 ' O ' HG23 ' G' ' 12' ' ' VAL . 5.5 m -125.17 119.31 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.483 ' C ' ' CG ' ' G' ' 14' ' ' HIS . 1.1 p80 -131.61 150.34 52.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.685 ' CE1' HG11 ' G' ' 18' ' ' VAL . 0.5 OUTLIER 168.91 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -130.84 -166.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.591 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 32.3 mmtm 57.2 -109.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.651 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.6 143.06 30.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.685 HG11 ' CE1' ' G' ' 14' ' ' HIS . 90.4 t -150.63 149.19 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.793 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.525 ' CD2' HG11 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -157.95 155.21 29.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.799 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 174.24 -173.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.18 0.514 . . . . 0.0 111.408 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.85 113.55 13.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.036 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -86.56 123.8 32.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 47.4 t0 -138.55 110.49 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.275 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.916 HG12 ' H ' ' G' ' 25' ' ' GLY . 5.8 t -134.77 -178.66 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.552 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.916 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 95.33 -71.66 0.99 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -171.03 110.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.613 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.53 148.23 31.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.49 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -117.47 178.82 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.43 92.59 0.42 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -147.65 -165.56 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.47 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -145.3 144.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.4 144.62 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.315 . . . . 0.0 110.345 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' F' ' 33' ' ' GLY . . . -149.23 147.31 17.59 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.606 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.2 OUTLIER -152.02 150.98 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -148.88 146.09 27.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.196 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.576 HG12 HG22 ' H' ' 36' ' ' VAL . 35.0 m -150.5 150.19 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.23 150.09 21.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.95 148.13 19.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.547 HG12 ' N ' ' G' ' 40' ' ' VAL . 76.7 t -115.14 160.77 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.331 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.547 ' N ' HG12 ' G' ' 39' ' ' VAL . 11.0 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 2' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' H' ' 4' ' ' PHE . . . -79.34 -168.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 3' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' G' ' 25' ' ' GLY . 4.5 mm-40 56.28 5.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.476 ' H ' ' C ' ' H' ' 2' ' ' ALA . 35.4 t80 49.41 -119.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 32.2 ptt85 -177.45 73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.578 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 1.1 t-80 -156.04 -138.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 7' ' ' ASP . . . . . 0.578 ' H ' ' CG ' ' H' ' 6' ' ' HIS . 37.4 t0 -62.96 150.71 41.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' H' ' 7' ' ' ASP . 15.9 m -167.18 104.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 0.43 ' H ' ' HB2' ' G' ' 8' ' ' SER . . . -160.9 159.7 31.28 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' CD2' ' I' ' 10' ' ' TYR . 14.3 p90 -157.97 156.24 30.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.803 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.08 149.14 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.616 HG22 HG12 ' I' ' 12' ' ' VAL . 6.2 m -125.12 155.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.731 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -162.75 143.79 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.603 ' H ' ' HB3' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -154.95 -153.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' H' ' 16' ' ' LYS . 65.4 mt-30 -140.29 -113.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' H' ' 15' ' ' GLN . 0.2 OUTLIER -22.89 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.628 HD23 ' H ' ' H' ' 18' ' ' VAL . 0.4 OUTLIER -148.78 145.79 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.418 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.628 ' H ' HD23 ' H' ' 17' ' ' LEU . 17.5 t -152.87 151.17 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.782 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' H' ' 36' ' ' VAL . 0.8 OUTLIER -156.91 155.51 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.518 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.496 ' CD2' ' CE2' ' G' ' 20' ' ' PHE . 0.2 OUTLIER 174.74 -173.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 111.297 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 120.92 21.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.208 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -94.49 102.47 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -119.3 113.76 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.315 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.867 HG22 ' H ' ' H' ' 25' ' ' GLY . 8.5 p -145.7 -179.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.597 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.867 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 97.18 -74.76 0.68 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -161.86 104.82 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -77.25 178.97 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 171.32 14.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.58 91.35 0.86 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -148.53 -153.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.8 mt -144.74 144.45 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.148 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.49 144.57 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.569 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.45 147.25 17.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.818 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -147.38 146.26 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.391 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.5 ttt -147.88 145.55 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.606 HG12 HG22 ' I' ' 36' ' ' VAL . 35.2 m -153.06 152.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.51 149.53 21.3 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 150.4 22.29 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' D' ' 32' ' ' ILE . 94.4 t -119.97 136.77 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.528 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 1' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' I' ' 2' ' ' ALA . 17.2 t0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 2' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' I' ' 1' ' ' ASP . . . -147.12 148.39 31.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' I' ' 4' ' ' PHE . 38.1 mt-10 48.73 80.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' I' ' 3' ' ' GLU . 50.2 m-85 -42.76 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -178.41 65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' I' ' 7' ' ' ASP . 75.9 m80 -152.86 122.64 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 7' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' I' ' 6' ' ' HIS . 4.8 m-20 58.79 121.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -179.84 99.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 9' ' ' GLY . . . . . 0.561 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -153.07 150.61 22.39 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.561 ' CD2' ' O ' ' I' ' 9' ' ' GLY . 0.2 OUTLIER -148.81 148.29 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -148.81 147.32 28.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.616 HG12 HG22 ' H' ' 12' ' ' VAL . 12.3 m -127.36 122.87 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' J' ' 13' ' ' HIS . 6.8 t-80 -131.66 138.25 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.603 ' HB3' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -176.34 -168.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -132.34 -157.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 17.3 mmtp 49.39 -108.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.664 HD23 ' H ' ' I' ' 18' ' ' VAL . 0.5 OUTLIER -146.75 143.38 28.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.664 ' H ' HD23 ' I' ' 17' ' ' LEU . 0.7 OUTLIER -149.71 149.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.811 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.524 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 32.3 t80 -152.77 149.71 28.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.153 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.8 p90 177.0 -176.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.121 0.486 . . . . 0.0 111.413 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.13 19.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.377 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -100.09 122.03 42.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.709 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -135.22 119.46 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.793 HG12 ' H ' ' I' ' 25' ' ' GLY . 3.5 t -143.71 178.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.793 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 94.52 -90.36 1.31 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -148.59 109.65 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.729 0.299 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -82.19 -172.5 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -136.12 157.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 101.04 1.28 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' J' ' 30' ' ' ALA . . . -159.6 -140.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.627 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.58 145.37 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.222 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.42 145.24 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.236 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.412 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.81 149.4 21.23 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.412 HD12 ' C ' ' I' ' 33' ' ' GLY . 3.1 mp -149.16 147.73 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.518 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' J' ' 35' ' ' MET . 15.7 ptt? -149.6 146.9 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.606 HG22 HG12 ' H' ' 36' ' ' VAL . 33.5 m -153.07 152.8 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.95 153.24 24.65 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.82 18.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.624 ' CG2' HG23 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -95.54 154.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.294 . . . . 0.0 110.599 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.442 ' OXT' ' O ' ' I' ' 39' ' ' VAL . 74.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.13 13.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 3' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' J' ' 4' ' ' PHE . 4.7 tp10 -64.72 -61.74 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' J' ' 3' ' ' GLU . 60.2 m-85 54.25 166.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -91.88 174.47 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 6' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' J' ' 7' ' ' ASP . 2.4 t-80 65.42 151.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 7' ' ' ASP . . . . . 0.613 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.8 m-20 64.44 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' J' ' 8' ' ' SER . 14.2 p 60.22 91.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.5 148.71 20.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -149.04 148.22 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -150.62 149.15 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' J' ' 13' ' ' HIS . 3.0 p -120.71 160.1 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' I' ' 13' ' ' HIS . 62.1 m-70 -161.4 89.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -106.36 -158.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -143.06 -33.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 11.4 mptt -98.61 -87.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.71 HD13 ' H ' ' J' ' 18' ' ' VAL . 0.1 OUTLIER -148.69 145.83 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.71 ' H ' HD13 ' J' ' 17' ' ' LEU . 16.2 m -151.65 150.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 2.9 m-85 -156.04 154.04 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.352 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.6 OUTLIER 174.48 -173.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 111.214 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 113.82 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.316 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -99.12 109.78 22.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -125.31 127.52 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.37 176.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.05 -100.51 2.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -139.72 118.36 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -94.51 174.39 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.616 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.618 ' H ' ' CD ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.73 145.4 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.62 105.91 2.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.999 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -167.48 -121.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 tt -145.73 144.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -148.43 146.87 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.4 148.84 20.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' J' ' 34' ' ' LEU . 6.0 mt -150.4 148.09 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -152.19 149.97 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.502 HG22 HG12 ' I' ' 36' ' ' VAL . 23.1 m -156.41 155.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.99 154.57 25.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.56 21.39 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.8 140.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.548 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.551 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.22 152.93 24.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -149.61 148.14 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.6 149.15 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.32 149.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.658 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -175.86 148.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.671 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 2.8 m80 -176.92 -172.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.438 ' OE1' ' NZ ' ' A' ' 16' ' ' LYS . 18.2 pt20 -114.45 -174.07 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 56.5 mttp 43.28 -100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.46 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.734 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -147.47 146.11 29.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG21 ' CB ' ' A' ' 14' ' ' HIS . 79.0 t -148.91 147.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -148.42 146.96 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.713 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 39.5 m-85 -157.33 155.71 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.803 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.03 101.44 3.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.29 171.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 4.1 p30 -102.07 147.28 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.52 -93.02 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -135.17 156.75 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.652 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -111.84 124.21 51.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -94.05 -167.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 90.9 0.24 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.83 -168.45 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -146.07 144.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 pt -148.97 147.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.525 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.95 147.9 18.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.88 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.41 147.7 28.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.47 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttp -148.95 147.06 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 1.1 m -148.14 147.37 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.55 149.68 21.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.53 152.74 24.32 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.24 128.69 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.575 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.92 175.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 45.5 44.27 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -46.55 -40.56 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' B' ' 6' ' ' HIS . 10.3 ptm180 -164.28 -118.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.695 ' H ' ' HE ' ' B' ' 5' ' ' ARG . 43.5 m-70 54.46 164.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.25 159.3 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -167.66 140.96 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.519 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -158.17 156.59 27.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.519 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -154.33 154.45 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -152.72 150.31 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.76 137.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -150.18 107.8 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.697 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 37.7 t-80 -120.08 -173.8 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.697 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 86.5 mt-30 -116.41 -92.81 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.3 mptm? -51.95 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 143.61 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -147.39 145.67 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.583 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -155.32 152.45 29.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.408 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.713 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 171.95 -171.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.166 0.508 . . . . 0.0 111.306 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 115.52 18.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -91.62 134.01 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.4 t70 -151.87 113.46 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.29 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -178.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.628 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.93 -95.71 2.11 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -158.09 120.24 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -77.11 151.09 35.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.58 175.69 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.91 98.84 0.65 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -148.96 -158.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -145.46 144.94 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.172 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -147.35 145.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.39 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.61 152.7 24.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.794 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.8 pt? -161.5 160.56 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.25 149.0 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' C' ' 36' ' ' VAL . 0.1 OUTLIER -147.49 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.49 150.18 22.06 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.79 150.02 21.85 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.82 145.88 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.508 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.94 -64.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.76 0.314 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' C' ' 20' ' ' PHE . 23.7 t -148.5 147.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -155.73 152.71 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' D' ' 20' ' ' PHE . 0.0 OUTLIER 172.12 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 111.227 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.55 121.97 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -95.19 112.95 24.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -139.88 109.71 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.66 178.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.01 -96.63 2.18 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -147.53 141.54 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.621 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -94.54 172.7 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -118.15 168.86 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.63 100.82 2.5 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.53 -140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.597 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mt -145.18 144.66 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.884 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.65 146.58 16.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.884 HD12 ' C ' ' C' ' 33' ' ' GLY . 6.0 mp -149.08 147.45 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' D' ' 35' ' ' MET . 18.0 ttt -147.9 146.11 28.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.564 HG12 ' O ' ' D' ' 36' ' ' VAL . 0.0 OUTLIER -150.17 149.61 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.89 149.44 21.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.06 18.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.83 159.68 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.639 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.595 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.231 0.087 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.46 147.45 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 10.5 t80 -152.73 149.36 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.201 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.758 ' HB2' ' O ' ' C' ' 20' ' ' PHE . 7.7 p90 175.07 -173.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.184 0.516 . . . . 0.0 111.333 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.46 121.69 36.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.308 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.24 111.87 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -135.99 110.75 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.703 HG12 ' H ' ' D' ' 25' ' ' GLY . 12.1 t -136.28 174.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.703 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 96.53 -85.76 0.87 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -148.82 112.4 5.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -89.48 168.34 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.1 OUTLIER -103.26 164.32 11.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.48 99.65 2.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.56 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.57 -123.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.614 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' D' ' 31' ' ' ILE . 6.1 mt -144.93 144.58 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.417 HD13 HG21 ' D' ' 32' ' ' ILE . 8.0 mt -147.44 145.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.403 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -152.24 149.55 21.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.403 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.91 149.2 30.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.535 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 35' ' ' MET . 7.6 ttt -147.39 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.564 ' O ' HG12 ' C' ' 36' ' ' VAL . 0.5 OUTLIER -149.06 148.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.5 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -151.22 148.83 20.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.82 148.68 20.22 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.492 HG12 HG23 ' D' ' 40' ' ' VAL . 90.5 t -111.79 133.27 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.527 ' O ' HG12 ' D' ' 40' ' ' VAL . 84.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.815 0.341 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.631 ' C ' ' CG ' ' E' ' 20' ' ' PHE . 24.9 m-85 -151.34 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.093 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.677 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.91 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.181 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.99 104.58 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.323 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.4 mp0 -111.8 110.38 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -139.31 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' E' ' 26' ' ' SER . 3.7 p -63.08 162.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.571 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -43.07 76.41 0.0 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.765 ' N ' ' O ' ' E' ' 24' ' ' VAL . 8.4 t -95.2 161.59 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -140.08 109.85 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -92.99 -152.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.336 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.561 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -47.05 163.49 0.17 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.513 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -60.98 4.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' E' ' 29' ' ' GLY . 20.2 tt -151.31 147.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.475 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -146.88 146.57 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.273 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.12 153.85 25.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.72 153.03 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.502 ' O ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -150.03 146.66 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.218 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.458 HG22 ' C ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -156.49 156.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -155.25 153.97 25.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.82 150.51 22.41 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.448 ' O ' HG23 ' E' ' 39' ' ' VAL . 6.1 m -119.85 131.58 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.676 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.494 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' F' ' 24' ' ' VAL . 53.1 m-85 -150.34 148.51 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' F' ' 11' ' ' GLU . 1.0 OUTLIER -150.39 148.33 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.301 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.499 HG23 ' CE1' ' G' ' 14' ' ' HIS . 30.4 m -128.37 144.63 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' G' ' 13' ' ' HIS . 55.9 p-80 -175.57 -170.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.501 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 1.9 t60 74.09 -177.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.501 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 5.0 mm100 64.04 146.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 42.2 mtmt -71.28 -48.79 48.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 1.052 ' O ' HG13 ' F' ' 18' ' ' VAL . 1.8 pt? -149.51 146.22 27.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.932 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 1.052 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.0 OUTLIER 171.41 -169.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.221 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.778 ' H ' ' HD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -152.11 152.26 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.184 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.779 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 62.9 m-85 -151.21 148.88 28.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.38 128.44 54.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.348 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.628 ' O ' ' O ' ' G' ' 23' ' ' ASP . 41.9 mm-40 -80.8 134.31 35.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -159.78 83.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.7 ' CG2' ' H ' ' G' ' 25' ' ' GLY . 33.3 m -93.14 179.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 -105.08 2.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -147.74 154.78 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.678 0.275 . . . . 0.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.25 125.79 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 1.5 mmtp -94.94 -173.12 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.66 78.45 1.18 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.488 ' HB2' ' H ' ' G' ' 30' ' ' ALA . . . -140.85 -166.02 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -146.2 143.77 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.167 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.489 HG22 ' HB ' ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.09 145.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.553 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.521 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -151.7 148.78 20.2 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.872 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -153.35 152.76 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.022 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -152.46 149.51 28.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.178 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.627 ' N ' ' SD ' ' F' ' 35' ' ' MET . 1.3 m -151.91 152.41 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 71.96 0.81 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 38' ' ' GLY . . . . . 0.607 ' H ' ' HA2' ' G' ' 37' ' ' GLY . . . -62.17 -71.9 0.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' ' O ' ' G' ' 38' ' ' GLY . 7.7 p -112.55 128.91 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.547 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 2' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' G' ' 4' ' ' PHE . . . -157.53 164.54 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -73.57 136.98 44.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' G' ' 2' ' ' ALA . 84.0 m-85 -123.65 2.56 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 5' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' G' ' 5' ' ' ARG . 5.5 mpt_? -84.18 132.52 34.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -79.22 165.33 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 63.71 133.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -166.81 146.04 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.71 153.41 24.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.664 ' CD2' ' CD2' ' H' ' 10' ' ' TYR . 1.3 p90 -154.09 153.07 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.397 . . . . 0.0 110.622 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -150.21 149.84 30.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.38 142.52 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' G' ' 13' ' ' HIS . 42.8 p-80 -177.43 114.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.499 ' CE1' HG23 ' F' ' 12' ' ' VAL . 7.0 m80 -122.16 -139.96 0.32 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.637 ' O ' ' C ' ' G' ' 16' ' ' LYS . 60.1 mt-30 -134.13 -156.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' G' ' 15' ' ' GLN . 3.7 tptm 16.81 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.667 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' G' ' 15' ' ' GLN . 2.1 pp -146.32 144.05 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.232 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 ' ND1' ' G' ' 14' ' ' HIS . 9.9 p -148.67 147.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -156.95 154.68 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.503 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.823 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 27.8 p90 167.56 -165.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.48 . . . . 0.0 111.1 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.56 130.27 52.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 0.0 OUTLIER -96.16 110.23 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' F' ' 22' ' ' GLU . 42.3 t0 -135.28 103.27 5.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.94 177.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.7 ' H ' ' CG2' ' F' ' 24' ' ' VAL . . . 90.44 -100.97 2.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 135.66 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -74.07 -171.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -144.32 171.14 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 97.79 1.04 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -157.46 -152.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.659 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 57.0 mt -144.64 144.04 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.053 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.489 ' HB ' HG22 ' F' ' 32' ' ' ILE . 1.1 mt -148.82 145.94 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' G' ' 34' ' ' LEU . . . -148.16 147.28 17.76 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.488 HD12 ' O ' ' F' ' 33' ' ' GLY . 4.2 mp -146.53 144.39 29.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.458 ' O ' HG23 ' G' ' 36' ' ' VAL . 1.3 tmt? -142.33 141.87 32.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' F' ' 35' ' ' MET . 77.2 t -155.56 152.24 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.607 ' HA2' ' H ' ' F' ' 38' ' ' GLY . . . -155.26 155.49 26.28 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 38' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' F' ' 39' ' ' VAL . . . -146.02 144.91 13.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.01 122.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.626 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' G' ' 40' ' ' VAL . 97.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 1' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' H' ' 2' ' ' ALA . 73.2 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 2' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' H' ' 1' ' ' ASP . . . 54.7 167.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.82 118.49 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.71 137.17 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -68.69 -154.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' H' ' 7' ' ' ASP . 9.0 t-80 64.04 114.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 7' ' ' ASP . . . . . 0.76 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 11.5 m-20 56.27 117.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.624 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -178.08 131.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 0.965 ' HA2' ' H ' ' I' ' 9' ' ' GLY . . . -150.84 150.5 22.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 24.3 m-85 -146.35 144.23 29.63 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.4 pm0 -146.34 145.85 30.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.678 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.492 ' N ' ' HG3' ' I' ' 11' ' ' GLU . 24.9 t -115.47 140.05 38.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.975 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -152.82 176.04 12.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.497 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 1.043 ' CG ' ' H ' ' H' ' 15' ' ' GLN . 31.5 t-80 -177.25 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 1.043 ' H ' ' CG ' ' H' ' 14' ' ' HIS . 41.2 tt0 -132.81 -103.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 2.8 tmtp? -51.2 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' H' ' 14' ' ' HIS . 6.4 tt -145.51 143.89 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.308 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 4.7 p -147.34 145.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.532 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.473 ' C ' ' CG ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -154.99 151.86 28.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.823 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 167.99 -166.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.032 0.444 . . . . 0.0 111.115 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.99 129.12 54.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.84 112.22 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' G' ' 22' ' ' GLU . 46.4 t0 -136.58 101.59 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.681 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.2 OUTLIER -105.21 -174.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' H' ' 24' ' ' VAL . . . 74.97 -99.56 1.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -143.73 158.97 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -110.01 -175.49 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -128.72 165.94 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.8 103.15 2.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.909 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -158.1 -140.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.416 HG21 HD13 ' H' ' 31' ' ' ILE . 12.7 mt -145.09 144.58 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.166 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.93 146.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.511 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.79 ' O ' HD23 ' H' ' 34' ' ' LEU . . . -150.52 148.29 19.32 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.79 HD23 ' O ' ' H' ' 33' ' ' GLY . 5.3 mt -150.11 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.569 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.466 ' C ' ' CG1' ' H' ' 36' ' ' VAL . 1.8 mpt? -149.54 146.66 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.542 HG22 HG22 ' G' ' 36' ' ' VAL . 1.0 OUTLIER -154.23 153.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 152.08 23.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.47 148.67 20.11 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.1 120.83 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.509 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.85 -120.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -124.8 123.06 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' I' ' 4' ' ' PHE . 5.0 m-85 -125.7 141.83 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 57.68 -109.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.76 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 50.8 m80 -63.77 130.08 42.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' I' ' 8' ' ' SER . 1.2 p30 171.26 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.474 ' HB3' ' N ' ' J' ' 9' ' ' GLY . 1.4 m 39.59 81.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.382 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 9' ' ' GLY . . . . . 0.965 ' H ' ' HA2' ' H' ' 9' ' ' GLY . . . -65.21 -70.83 0.99 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 1.073 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.0 OUTLIER -147.42 144.01 28.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 35.4 tt0 -152.04 149.79 29.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.452 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.734 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 66.1 t 106.97 101.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.166 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.453 ' HA ' ' H ' ' J' ' 13' ' ' HIS . 0.8 OUTLIER -143.26 -86.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.873 ' HD1' ' HB3' ' H' ' 14' ' ' HIS . 66.9 t60 56.69 -166.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.833 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 6.3 tp-100 -146.79 -69.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 7.6 mptt -69.69 -80.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.669 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 0.4 OUTLIER -146.0 144.06 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.256 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' J' ' 18' ' ' VAL . 2.2 p -148.96 147.06 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 21.4 t80 -154.44 151.85 29.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.757 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.28 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 129.13 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.246 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.24 120.22 39.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.87 112.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.398 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' H' ' 24' ' ' VAL . 1.1 t -143.13 -146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 68.74 -78.16 0.27 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.7 p -153.64 106.3 2.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.85 161.31 14.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.511 ' O ' ' NZ ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -117.96 164.89 14.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.24 107.9 2.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.909 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -155.12 -137.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -144.78 144.03 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.166 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' I' ' 32' ' ' ILE . 1.5 mt -147.02 145.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.806 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.41 148.54 19.85 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.806 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.5 mp -153.26 151.53 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.83 149.61 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.252 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.539 HG12 HG22 ' J' ' 36' ' ' VAL . 6.8 m -152.34 151.7 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.625 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.39 151.77 23.49 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.66 147.99 18.84 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.25 123.27 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.428 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 2' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' J' ' 4' ' ' PHE . . . -78.11 78.15 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.98 20.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' J' ' 2' ' ' ALA . 41.7 m-85 -85.85 -33.17 21.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 5' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' J' ' 6' ' ' HIS . 3.8 mmp_? -76.88 -154.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 6' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' J' ' 5' ' ' ARG . 59.5 m80 -158.11 -174.03 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 7' ' ' ASP . . . . . 0.634 ' N ' ' OD1' ' J' ' 7' ' ' ASP . 4.0 p-10 -159.11 -172.66 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.603 ' C ' ' O ' ' J' ' 7' ' ' ASP . 2.2 p 19.79 98.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 9' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -60.82 -68.82 1.5 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 1.073 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.3 OUTLIER 164.37 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 110.683 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.984 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 17.1 tp10 164.0 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.984 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 85.4 t -42.02 -88.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.721 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' J' ' 12' ' ' VAL . 1.9 m-70 163.51 -83.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 179.43 -176.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -139.03 -50.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 2.3 tptp -95.75 -80.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.503 ' O ' HD23 ' I' ' 17' ' ' LEU . 5.0 tp -151.14 147.82 27.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' I' ' 18' ' ' VAL . 30.3 m -151.53 151.09 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' I' ' 19' ' ' PHE . 2.0 m-85 -155.26 152.81 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.361 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 0.5 OUTLIER 174.01 -173.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.47 . . . . 0.0 111.119 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 114.19 26.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -111.75 102.13 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.538 ' O ' ' OD2' ' J' ' 7' ' ' ASP . 0.7 OUTLIER -139.06 142.34 38.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.737 ' O ' ' N ' ' J' ' 26' ' ' SER . 2.8 t -34.06 131.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.445 ' HA2' ' H ' ' I' ' 24' ' ' VAL . . . -47.75 74.83 0.0 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.737 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.1 OUTLIER -144.29 101.99 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 110.475 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -83.65 171.76 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 141.06 50.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.92 93.44 1.06 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.571 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -175.7 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 mt -146.56 145.96 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.21 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -147.93 146.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.827 0.346 . . . . 0.0 110.535 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.38 147.83 18.38 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -150.98 149.69 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -148.97 147.13 28.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.539 HG22 HG12 ' I' ' 36' ' ' VAL . 17.3 m -154.76 153.24 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.45 154.81 25.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.95 149.43 21.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.02 141.71 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.428 ' OXT' ' O ' ' I' ' 40' ' ' VAL . 39.6 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.835 ' OG ' ' N ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.835 ' N ' ' OG ' ' A' ' 8' ' ' SER . . . 66.31 69.12 1.43 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CE2' ' CE1' ' B' ' 10' ' ' TYR . 17.7 t80 -139.88 136.76 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -144.24 144.97 31.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.295 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.043 HG21 ' HA ' ' B' ' 12' ' ' VAL . 30.3 m -115.9 68.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.655 ' CG ' ' H ' ' A' ' 14' ' ' HIS . 9.3 t60 36.66 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.113 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.655 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 4.2 p80 -156.04 -165.98 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.757 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 8.0 tp-100 -176.35 158.1 1.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 9.0 mmtm 42.78 30.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.449 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.771 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 151.62 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.588 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.202 ' O ' HG11 ' B' ' 18' ' ' VAL . 12.9 p -171.75 169.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 111.772 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.0 ' CE2' ' O ' ' A' ' 34' ' ' LEU . 29.1 t80 155.58 -155.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 156.25 -151.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.505 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . 146.14 134.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.744 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -144.77 172.74 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.725 ' OD2' ' N ' ' A' ' 27' ' ' ASN . 5.7 t0 -96.58 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.659 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 28.1 m -110.26 48.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.68 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 175.53 -87.21 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' CA ' ' B' ' 25' ' ' GLY . 23.2 t -171.42 95.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.848 ' HA ' ' HB ' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -83.36 139.82 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.297 179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' O ' ' HA ' ' C' ' 24' ' ' VAL . 0.5 OUTLIER -133.04 -157.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.963 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.752 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -30.21 114.88 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.161 ' O ' HD12 ' A' ' 31' ' ' ILE . . . 134.38 157.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 1.28 ' HA ' ' N ' ' C' ' 23' ' ' ASP . 1.1 mp -148.66 143.54 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.439 ' H ' ' C ' ' C' ' 22' ' ' GLU . 1.5 pp -160.34 161.82 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' B' ' 21' ' ' ALA . . . -154.37 154.94 25.86 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.719 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.037 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 0.4 OUTLIER -147.67 144.07 28.1 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 1.092 ' HB3' ' CD1' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -158.97 159.49 34.9 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 111.957 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.94 140.78 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.284 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.704 ' O ' ' CA ' ' B' ' 37' ' ' GLY . . . 152.36 -149.15 20.77 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -166.27 163.57 36.96 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.766 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.773 ' HB ' ' H ' ' B' ' 40' ' ' VAL . 84.1 t -83.49 117.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.502 -0.349 . . . . 0.0 110.436 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 2.5 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' B' ' 1' ' ' ASP . . . 171.33 129.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 26' ' ' SER . 13.8 mm-40 -122.19 126.82 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.29 -149.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -159.41 -169.6 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.573 ' O ' ' O ' ' B' ' 7' ' ' ASP . 22.6 m80 53.52 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 6' ' ' HIS . 6.8 m-20 50.37 163.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.613 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.6 OUTLIER 171.61 -11.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.441 ' H ' ' HA ' ' A' ' 8' ' ' SER . . . -147.0 143.53 11.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.591 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 12.0 t80 -147.48 144.59 28.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.655 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' CD1' ' B' ' 20' ' ' PHE . 1.7 mt-10 -140.83 143.13 34.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 1.043 ' HA ' HG21 ' A' ' 12' ' ' VAL . 11.5 m -118.01 126.8 75.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.949 ' O ' ' O ' ' B' ' 12' ' ' VAL . 10.3 p-80 -27.32 -179.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.558 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 1.096 ' NE2' HG23 ' B' ' 18' ' ' VAL . 8.6 p80 -154.1 -137.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 17' ' ' LEU . 2.7 mt-30 171.53 171.86 0.09 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.924 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 3.7 mptp? 29.78 37.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.924 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER 151.15 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 1.202 HG11 ' O ' ' A' ' 18' ' ' VAL . 8.9 p -177.15 176.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.682 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 1.581 ' CD1' ' HB2' ' C' ' 19' ' ' PHE . 1.0 OUTLIER 157.66 -156.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.118 -179.273 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 1.234 ' N ' ' HD2' ' B' ' 19' ' ' PHE . 8.6 m-30 146.59 -146.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.808 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 32' ' ' ILE . . . 172.73 -130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 1.5 mm-40 89.29 68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 7.6 t0 -62.77 -143.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 1.153 ' O ' HG11 ' C' ' 24' ' ' VAL . 1.9 p -160.26 158.34 2.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.554 ' CA ' ' O ' ' A' ' 26' ' ' SER . . . -37.72 -19.28 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.653 ' N ' ' O ' ' B' ' 24' ' ' VAL . 35.6 m -98.08 88.83 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.543 ' HB3' HG13 ' C' ' 24' ' ' VAL . 2.4 t-20 -173.51 -156.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.514 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 1.6 mmtt -91.36 160.71 15.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.876 ' H ' ' HB3' ' C' ' 27' ' ' ASN . . . -99.61 78.65 0.49 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.688 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -179.44 -134.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.856 HG22 ' H ' ' C' ' 32' ' ' ILE . 0.8 OUTLIER -140.35 139.66 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 1.2 mt -152.1 147.69 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.329 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 1.277 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -145.08 146.09 16.07 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 1.037 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -147.94 143.72 27.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 117.417 0.609 . . . . 0.0 110.442 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.818 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -146.26 148.03 32.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 0.4 OUTLIER -145.57 140.22 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.704 ' CA ' ' O ' ' A' ' 37' ' ' GLY . . . 153.17 -150.91 22.74 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.594 ' H ' ' HA2' ' A' ' 38' ' ' GLY . . . -156.84 156.11 26.91 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.439 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.824 ' N ' ' O ' ' C' ' 38' ' ' GLY . 26.3 t -103.44 115.81 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.351 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.773 ' H ' ' HB ' ' A' ' 39' ' ' VAL . 10.1 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.88 151.31 33.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 1.061 ' HG ' ' HB3' ' D' ' 17' ' ' LEU . 2.1 mm? . . . . . 0 CA--C 1.527 0.083 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 1.111 HG22 ' N ' ' C' ' 19' ' ' PHE . 3.5 p 143.21 -141.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.22 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 1.581 ' HB2' ' CD1' ' B' ' 19' ' ' PHE . 0.1 OUTLIER 73.16 71.33 0.13 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.606 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 1.338 ' HA ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -67.02 -73.95 0.12 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.57 0.623 . . . . 0.0 110.706 179.01 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.864 ' O ' ' HB3' ' B' ' 21' ' ' ALA . . . 166.93 -138.82 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 1.439 ' C ' ' H ' ' A' ' 32' ' ' ILE . 3.3 mm-40 117.76 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.662 0.268 . . . . 0.0 110.682 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 1.28 ' N ' ' HA ' ' A' ' 31' ' ' ILE . 33.3 t0 -126.16 -133.9 0.25 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.994 0.426 . . . . 0.0 111.533 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 1.153 HG11 ' O ' ' B' ' 24' ' ' VAL . 0.7 OUTLIER -156.43 161.19 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.684 ' HA2' ' O ' ' A' ' 29' ' ' GLY . . . -99.98 86.58 0.68 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -167.19 62.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.876 ' HB3' ' H ' ' B' ' 29' ' ' GLY . 1.0 OUTLIER 170.68 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.542 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.614 ' C ' ' O ' ' B' ' 29' ' ' GLY . 10.3 ptmt -50.67 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.556 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . . . -150.79 93.76 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' D' ' 27' ' ' ASN . . . -172.59 -147.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.781 ' O ' ' CB ' ' D' ' 32' ' ' ILE . 6.2 mt -138.08 138.92 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.577 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.856 ' H ' HG22 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -149.95 146.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 1.249 ' O ' ' HG ' ' D' ' 34' ' ' LEU . . . -151.92 152.2 23.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 1.277 ' HG ' ' O ' ' B' ' 33' ' ' GLY . 1.3 pt? -151.98 148.73 28.09 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . 1.032 ' HG3' ' H ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -148.63 149.62 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.316 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.783 ' N ' ' O ' ' B' ' 35' ' ' MET . 0.5 OUTLIER -146.85 142.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.151 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.61 -145.08 13.58 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . 0.937 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . 149.63 -146.55 15.94 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.168 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.779 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 3.5 t -105.35 155.48 6.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.451 ' N ' ' CG1' ' C' ' 39' ' ' VAL . 3.4 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 1.061 ' HB3' ' HG ' ' C' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.988 HG23 ' N ' ' D' ' 19' ' ' PHE . 1.3 m -63.71 -74.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 1.325 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 167.04 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.909 -177.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 1.408 ' N ' ' H ' ' E' ' 20' ' ' PHE . 34.7 m-85 160.44 -161.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.431 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.982 ' O ' HG22 ' A' ' 31' ' ' ILE . . . 140.82 -78.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.449 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.814 ' HB2' ' O ' ' D' ' 21' ' ' ALA . 0.2 OUTLIER 88.78 179.39 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.854 ' CA ' HD13 ' B' ' 31' ' ' ILE . 6.4 t0 -126.69 158.84 35.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.927 0.394 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.616 HG12 ' N ' ' D' ' 27' ' ' ASN . 1.1 t -64.52 153.72 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.718 ' H ' ' CA ' ' A' ' 29' ' ' GLY . . . -44.78 -52.09 7.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -139.11 68.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.616 ' N ' HG12 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -89.47 157.08 18.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.432 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.581 ' HD2' ' ND2' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -74.37 174.94 8.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . -62.61 89.9 0.06 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.856 ' N ' ' ND2' ' E' ' 27' ' ' ASN . . . -167.58 145.6 4.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.68 HD12 HD21 ' E' ' 27' ' ' ASN . 0.5 OUTLIER -143.23 143.66 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.952 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.781 ' CB ' ' O ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -149.38 145.74 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.197 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.702 ' O ' ' HG ' ' E' ' 34' ' ' LEU . . . -152.65 153.25 24.75 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.459 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 1.249 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 0.4 OUTLIER -149.77 145.77 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 110.444 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.713 ' HG2' ' H ' ' E' ' 36' ' ' VAL . 0.1 OUTLIER -145.25 146.62 31.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 1.032 ' H ' ' HG3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -146.25 141.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.558 ' O ' ' CA ' ' E' ' 37' ' ' GLY . . . 147.44 -145.58 14.4 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . 0.937 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . 145.56 -142.36 10.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.779 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 2.0 m -138.68 129.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 110.435 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 1.319 ' N ' ' HD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 1.111 ' O ' ' CG ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 71.95 73.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.467 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 1.408 ' H ' ' N ' ' D' ' 20' ' ' PHE . 33.1 m-85 -64.36 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 111.889 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.903 ' O ' ' HB2' ' E' ' 22' ' ' GLU . . . 155.56 -87.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.668 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 22' ' ' GLU . . . . . 0.984 ' H ' HG21 ' G' ' 39' ' ' VAL . 0.0 OUTLIER 98.84 -177.87 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.976 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' E' ' 24' ' ' VAL . 9.6 t0 -140.01 154.76 47.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.839 HG13 ' N ' ' E' ' 25' ' ' GLY . 0.3 OUTLIER -85.7 -170.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.298 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.839 ' N ' HG13 ' E' ' 24' ' ' VAL . . . -36.09 -48.14 1.08 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.1 p -174.38 108.84 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.856 ' ND2' ' N ' ' D' ' 30' ' ' ALA . 54.1 t-20 -116.43 87.67 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -112.84 46.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . 177.25 37.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.707 ' O ' ' ND2' ' E' ' 27' ' ' ASN . . . 170.04 108.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.385 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.47 HD12 HD13 ' D' ' 31' ' ' ILE . 2.6 tp -143.73 144.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.21 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.593 HG13 ' O ' ' D' ' 31' ' ' ILE . 0.9 OUTLIER -149.41 144.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.57 161.7 32.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.874 ' HG ' ' HA ' ' D' ' 34' ' ' LEU . 1.2 pp -159.27 156.98 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.178 0.513 . . . . 0.0 111.125 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.694 ' N ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -142.73 142.2 31.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.689 179.202 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.713 ' H ' ' HG2' ' D' ' 35' ' ' MET . 1.4 t -145.07 143.39 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.105 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.558 ' CA ' ' O ' ' D' ' 37' ' ' GLY . . . 143.91 -142.43 11.16 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 38' ' ' GLY . . . . . 0.486 ' O ' ' CA ' ' D' ' 38' ' ' GLY . . . 147.82 -146.33 15.89 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.264 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.593 HG11 ' O ' ' H' ' 33' ' ' GLY . 0.8 OUTLIER -148.49 155.13 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.742 0.306 . . . . 0.0 110.2 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.644 HG22 ' O ' ' E' ' 40' ' ' VAL . 5.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 9' ' ' GLY . . . . . 0.877 ' O ' ' HB2' ' F' ' 10' ' ' TYR . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' G' ' 10' ' ' TYR . 35.6 t80 142.26 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CG ' ' F' ' 10' ' ' TYR . 85.9 mt-10 -144.28 140.68 29.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.755 ' H ' ' H ' ' G' ' 12' ' ' VAL . 18.2 t -113.48 100.23 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.57 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -150.74 174.15 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.747 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -176.94 -130.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' F' ' 17' ' ' LEU . 36.5 mm-40 -131.19 170.39 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 48.8 mttm 42.39 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.502 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -143.49 141.63 30.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.855 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 1.092 ' N ' HG11 ' G' ' 18' ' ' VAL . 1.6 p -149.29 146.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -152.62 152.69 32.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.26 147.34 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.231 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -171.5 127.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.542 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 50.7 tt0 173.29 162.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' F' ' 22' ' ' GLU . 9.4 t70 -78.13 123.55 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' G' ' 23' ' ' ASP . 0.5 OUTLIER -101.55 108.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.31 -75.49 0.35 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.483 ' O ' ' OD2' ' F' ' 23' ' ' ASP . 68.7 m -148.77 118.71 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -90.56 147.2 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.04 -168.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.88 95.21 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -155.95 -175.28 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.449 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.46 142.41 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -151.71 150.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.031 0.444 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.89 143.48 11.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.902 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -145.05 142.58 29.86 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.718 -0.283 . . . . 0.0 110.32 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.819 ' HG3' ' C ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.33 156.36 30.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 111.422 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.528 HG12 ' CG2' ' G' ' 36' ' ' VAL . 1.6 m -148.39 147.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.019 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' G' ' 37' ' ' GLY . . . 148.03 -145.98 15.12 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 38' ' ' GLY . . . . . 1.105 ' HA3' ' O ' ' G' ' 38' ' ' GLY . . . 155.47 -154.07 25.25 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' E' ' 20' ' ' PHE . 8.4 m -137.2 159.1 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.424 ' OXT' ' OE1' ' E' ' 22' ' ' GLU . 2.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.589 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.42 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -45.01 127.34 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.75 -51.53 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 5' ' ' ARG . . . . . 0.43 ' C ' ' CG ' ' G' ' 6' ' ' HIS . 12.3 mmm180 -72.71 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.43 ' CG ' ' C ' ' G' ' 5' ' ' ARG . 2.5 p80 173.59 97.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -143.9 -70.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.47 ' O ' ' O ' ' H' ' 9' ' ' GLY . 1.4 m 56.65 30.23 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -61.6 -70.99 0.87 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.0 OUTLIER -171.99 173.1 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 111.22 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' H' ' 11' ' ' GLU . 2.1 pt-20 -151.84 150.88 30.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.456 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.822 ' O ' ' HA ' ' H' ' 12' ' ' VAL . 2.7 t 75.03 110.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.617 ' O ' ' NE2' ' G' ' 15' ' ' GLN . 1.5 t60 -136.4 -113.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' G' ' 15' ' ' GLN . 31.0 t-80 -74.62 155.44 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.617 ' NE2' ' O ' ' G' ' 13' ' ' HIS . 0.5 OUTLIER 156.96 140.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.498 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 5.8 tptp -62.42 -66.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.608 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 1.185 ' O ' HG13 ' G' ' 18' ' ' VAL . 2.1 pp -150.66 147.04 26.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.211 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 1.185 HG13 ' O ' ' G' ' 17' ' ' LEU . 0.2 OUTLIER 163.62 -160.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.985 0.421 . . . . 0.0 111.038 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.775 ' C ' ' CD2' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -154.93 154.81 33.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.938 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 1.02 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -147.69 143.8 27.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -165.48 139.72 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.548 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.542 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.1 OUTLIER 173.98 142.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.716 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.561 ' CG ' HD22 ' H' ' 27' ' ' ASN . 1.6 m-20 -81.34 139.18 35.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 m -94.07 95.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.628 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' F' ' 24' ' ' VAL . . . 146.12 -84.11 0.19 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 26' ' ' SER . . . . . 0.561 ' O ' ' O ' ' H' ' 25' ' ' GLY . 73.0 m -146.43 178.2 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' OD2' ' F' ' 23' ' ' ASP . 16.1 p-10 -146.72 169.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -110.6 178.6 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.482 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 102.81 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.801 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -153.03 -156.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' H' ' 32' ' ' ILE . 69.7 mt -144.13 142.86 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.852 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 10.0 mt -145.46 144.06 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.549 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 1.084 ' C ' HD13 ' G' ' 34' ' ' LEU . . . -148.88 144.66 12.44 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 1.084 HD13 ' C ' ' G' ' 33' ' ' GLY . 0.0 OUTLIER -148.46 149.32 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.754 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.7 ' SD ' ' SD ' ' F' ' 35' ' ' MET . 5.6 mtt -152.81 149.66 28.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.971 ' HA ' ' O ' ' H' ' 36' ' ' VAL . 25.4 m -155.5 155.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.474 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 66.94 72.13 0.82 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 38' ' ' GLY . . . . . 1.105 ' O ' ' HA3' ' F' ' 38' ' ' GLY . . . -64.93 -74.17 0.51 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.734 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.984 HG21 ' H ' ' E' ' 22' ' ' GLU . 0.3 OUTLIER -149.84 138.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.66 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.556 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.95 -173.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 3' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' H' ' 5' ' ' ARG . 33.8 mt-10 -84.26 150.19 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.22 45.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 5' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' H' ' 6' ' ' HIS . 48.1 mtp85 55.45 95.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' H' ' 5' ' ' ARG . 60.0 m80 -158.85 170.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.26 -179.54 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.695 ' OG ' ' CD1' ' H' ' 10' ' ' TYR . 33.5 t -64.85 -75.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . 64.28 70.71 1.0 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.695 ' CD1' ' OG ' ' H' ' 8' ' ' SER . 0.5 OUTLIER -158.02 155.86 30.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 110.894 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' G' ' 11' ' ' GLU . 13.8 tt0 -148.73 149.78 32.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.822 ' HA ' ' O ' ' G' ' 12' ' ' VAL . 5.4 m -125.06 167.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' G' ' 13' ' ' HIS . 1.9 t60 -169.98 163.54 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.766 ' CG ' ' N ' ' H' ' 15' ' ' GLN . 0.5 OUTLIER -165.05 -164.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.678 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.766 ' N ' ' CG ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -134.39 -81.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.576 ' C ' ' HE2' ' H' ' 14' ' ' HIS . 22.1 mttp -59.53 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -143.81 142.5 30.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' CG ' ' H' ' 14' ' ' HIS . 1.0 OUTLIER -151.23 148.04 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.612 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.9 OUTLIER -157.49 156.83 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 1.108 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 47.9 p90 168.71 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.92 138.6 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -131.65 124.33 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.762 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 3.2 p30 -140.03 146.77 39.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.643 HG11 ' C ' ' I' ' 25' ' ' GLY . 2.8 p -34.29 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.565 ' N ' HG22 ' H' ' 24' ' ' VAL . . . -48.46 -5.94 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 26' ' ' SER . . . . . 0.599 ' H ' ' C ' ' H' ' 24' ' ' VAL . 4.7 t -87.75 110.73 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.606 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.561 HD22 ' CG ' ' G' ' 23' ' ' ASP . 11.1 t-20 -98.04 -178.38 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -108.46 143.58 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 85.8 1.12 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 1.032 ' HB3' ' O ' ' I' ' 30' ' ' ALA . . . -167.33 -118.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.583 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -146.44 144.96 20.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 1.4 mt -146.88 145.4 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.854 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.0 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.854 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.7 mp -147.58 145.47 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.346 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.655 ' O ' HG23 ' H' ' 36' ' ' VAL . 8.3 ptt? -144.97 143.22 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.003 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.971 ' O ' ' HA ' ' G' ' 36' ' ' VAL . 1.4 t -164.78 163.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 111.228 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' I' ' 37' ' ' GLY . . . 155.18 -156.54 27.01 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 38' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' I' ' 38' ' ' GLY . . . -148.36 145.01 13.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.944 ' H ' ' HA ' ' I' ' 39' ' ' VAL . 16.4 t -114.61 122.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.46 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.603 ' H ' HG22 ' G' ' 39' ' ' VAL . 2.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.554 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 1' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' H' ' 5' ' ' ARG . 31.6 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.17 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.65 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -137.1 -63.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' I' ' 5' ' ' ARG . 57.5 t80 58.49 177.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 5' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' I' ' 4' ' ' PHE . 22.9 ttt180 70.63 146.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -84.35 -143.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 7' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' I' ' 8' ' ' SER . 81.0 m-20 55.08 -113.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.427 ' O ' ' O ' ' I' ' 7' ' ' ASP . 7.6 t 58.04 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 143.03 11.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.907 ' O ' ' C ' ' J' ' 10' ' ' TYR . 6.2 t80 -147.58 146.66 29.48 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.693 ' N ' ' CD1' ' I' ' 10' ' ' TYR . 65.8 mt-10 -148.72 145.83 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' J' ' 12' ' ' VAL . 74.8 t -111.37 115.25 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.363 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' H' ' 11' ' ' GLU . 2.2 m-70 -94.43 163.73 13.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.52 ' CD2' ' CG1' ' J' ' 18' ' ' VAL . 18.2 p-80 -166.41 -178.05 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.553 ' HB3' HE21 ' H' ' 15' ' ' GLN . 9.3 tt0 -143.25 -53.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -99.96 -75.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 tp -145.75 143.64 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.7 145.8 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.691 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 15.4 t80 -157.54 155.56 30.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 1.108 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 160.4 -158.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 179.651 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.81 124.74 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -107.13 96.57 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.762 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 38.0 t70 -115.64 124.03 49.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.221 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.518 ' O ' ' CA ' ' J' ' 25' ' ' GLY . 2.2 t -136.44 165.98 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.695 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.643 ' C ' HG11 ' H' ' 24' ' ' VAL . . . 104.79 -59.74 0.44 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.478 ' O ' ' O ' ' J' ' 25' ' ' GLY . 0.2 OUTLIER -169.89 141.47 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.576 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 2.2 m120 -117.63 158.64 24.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 162.08 17.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.31 105.59 1.68 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 1.032 ' O ' ' HB3' ' H' ' 30' ' ' ALA . . . -156.9 -145.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG23 ' J' ' 31' ' ' ILE . 84.5 mt -145.24 146.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.086 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.404 HG21 HD13 ' I' ' 32' ' ' ILE . 4.1 mt -147.07 144.84 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.955 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -152.07 149.67 21.4 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.955 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -157.19 156.0 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 111.159 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.637 ' SD ' ' SD ' ' E' ' 35' ' ' MET . 1.7 ttt -148.68 146.2 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.622 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.885 ' H ' ' CG2' ' H' ' 36' ' ' VAL . 0.5 OUTLIER -155.04 155.98 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 111.386 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' H' ' 37' ' ' GLY . . . 63.5 69.93 1.19 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 38' ' ' GLY . . . . . 0.533 ' O ' ' HA2' ' H' ' 38' ' ' GLY . . . -62.3 -73.05 0.56 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.751 -0.539 . . . . 0.0 111.751 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.944 ' HA ' ' H ' ' H' ' 39' ' ' VAL . 0.7 OUTLIER -128.53 161.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.648 ' HA ' ' H ' ' J' ' 40' ' ' VAL . 32.2 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.23 52.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.658 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 3' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' J' ' 5' ' ' ARG . 4.9 mm-40 -104.66 30.78 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -42.74 97.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 5' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' J' ' 3' ' ' GLU . 79.3 mtt85 49.52 -177.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.05 178.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 7' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' J' ' 8' ' ' SER . 7.5 p-10 -141.69 -114.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.444 ' O ' ' OG ' ' J' ' 8' ' ' SER . 0.3 OUTLIER -36.56 108.73 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 9' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -58.76 -68.27 1.77 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.907 ' C ' ' O ' ' I' ' 10' ' ' TYR . 3.6 m-85 -161.18 161.9 31.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.2 pm0 -154.65 152.03 29.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' I' ' 12' ' ' VAL . 14.7 t 77.1 134.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.58 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.9 t60 -113.03 -73.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.466 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.3 t60 155.13 124.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.568 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -172.57 -135.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -50.6 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -149.66 146.96 27.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.52 ' CG1' ' CD2' ' I' ' 14' ' ' HIS . 34.2 m -150.66 149.66 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.666 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 7.2 m-85 -152.46 149.77 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.666 ' CG ' ' C ' ' J' ' 19' ' ' PHE . 0.1 OUTLIER 169.48 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.38 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' J' ' 22' ' ' GLU . 1.2 mp0 -125.61 110.63 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -130.12 162.96 27.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.399 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.625 ' C ' ' H ' ' J' ' 26' ' ' SER . 2.2 p -44.13 160.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.697 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.523 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -53.96 1.01 0.04 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.625 ' H ' ' C ' ' J' ' 24' ' ' VAL . 1.6 t -83.47 96.91 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.543 HD21 ' CG ' ' I' ' 23' ' ' ASP . 3.4 m-80 -109.8 177.33 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -99.24 127.34 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 95.17 1.8 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.435 ' H ' ' CB ' ' I' ' 30' ' ' ALA . . . -169.31 -106.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.51 HG23 ' HB ' ' I' ' 31' ' ' ILE . 9.2 mt -147.09 147.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -149.76 146.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.262 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.4 22.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' I' ' 34' ' ' LEU . 2.5 mt -151.18 147.86 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 35' ' ' MET . . . . . 1.03 ' O ' HG13 ' J' ' 36' ' ' VAL . 4.6 ptm -151.95 149.68 29.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 1.03 HG13 ' O ' ' J' ' 35' ' ' MET . 0.0 OUTLIER 169.64 -166.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.308 0.575 . . . . 0.0 111.106 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 1.082 ' HA2' ' H ' ' I' ' 37' ' ' GLY . . . 153.94 -154.18 25.33 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 38' ' ' GLY . . . . . 0.653 ' O ' ' O ' ' I' ' 39' ' ' VAL . . . -151.98 150.21 22.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.605 ' O ' HG23 ' J' ' 39' ' ' VAL . 5.1 m -107.59 120.71 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.648 ' H ' ' HA ' ' I' ' 40' ' ' VAL . 2.3 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 8' ' ' SER . 30.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.744 0.307 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.59 68.79 1.51 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -151.97 149.77 29.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.68 150.41 31.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' B' ' 13' ' ' HIS . 3.5 t -113.1 148.02 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -173.92 153.7 2.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.5 t-80 -172.86 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 38.2 mt-30 -145.77 -175.88 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 41.6 mtpt 42.77 -98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -145.55 143.99 30.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.112 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 14' ' ' HIS . 72.0 t -148.53 146.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.625 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.663 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -147.69 146.39 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.836 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 38.0 m-85 -156.12 154.19 30.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' B' ' 34' ' ' LEU . . . -149.47 101.38 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.443 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.42 173.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.2 p30 -98.46 140.45 32.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.23 111.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.46 -80.55 0.27 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -139.62 130.47 26.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.626 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.76 130.65 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -97.89 -166.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.01 92.55 0.25 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.39 -169.86 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 mt -145.94 144.81 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.298 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.1 pp -148.4 146.9 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.53 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 147.7 18.22 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.887 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.3 146.79 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.591 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ttt -149.47 146.41 27.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.22 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.624 HG12 HG22 ' B' ' 36' ' ' VAL . 9.0 m -150.81 151.26 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 148.25 19.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.05 149.9 21.78 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.07 149.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.447 ' O ' ' CE1' ' B' ' 4' ' ' PHE . . . -159.12 -174.73 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.3 -30.71 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' B' ' 2' ' ' ALA . 14.7 m-85 58.52 -161.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER 44.14 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.487 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.517 ' HD1' ' C ' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -127.14 171.19 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 6' ' ' HIS . 10.9 t70 59.63 126.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 8' ' ' SER . 50.0 m -92.11 -29.93 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.32 68.46 1.65 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -146.98 145.53 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.306 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -154.81 152.42 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.94 133.1 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.445 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.5 t60 -164.1 131.19 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.575 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 0.0 OUTLIER -148.24 -153.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -129.16 170.63 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.9 mptp? 56.5 -99.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.37 144.5 29.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.332 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' B' ' 14' ' ' HIS . 58.2 t -151.12 149.5 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -158.8 156.27 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.836 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.62 -169.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.16 114.42 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.108 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.01 134.98 33.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 65.0 t0 -150.69 111.97 4.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.165 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -178.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.12 -87.4 1.35 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -159.3 114.83 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.302 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -79.71 152.34 29.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.41 174.75 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.458 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.2 94.59 0.55 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -143.84 -158.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 mt -145.25 144.49 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.211 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.89 145.67 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.4 153.3 24.71 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 34' ' ' LEU . 2.0 pt? -158.54 157.11 31.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.91 148.92 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.267 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.624 HG22 HG12 ' A' ' 36' ' ' VAL . 32.5 m -151.24 151.16 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.95 149.97 21.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.03 148.66 20.16 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.86 143.18 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.559 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.82 133.86 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.21 146.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.499 ' CD2' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -156.19 153.33 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.7 ' H ' ' HB3' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 170.43 -169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.44 . . . . 0.0 111.232 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.04 123.34 41.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CE2' ' C' ' 20' ' ' PHE . 64.2 mm-40 -94.77 117.23 29.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' D' ' 23' ' ' ASP . 10.8 t70 -141.1 108.45 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.725 HG12 ' H ' ' C' ' 25' ' ' GLY . 2.9 t -122.86 176.15 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.529 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.725 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.58 -96.21 2.11 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -147.62 119.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.592 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' C' ' 28' ' ' LYS . 36.8 t30 -80.96 173.61 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -120.64 167.62 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.511 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.03 96.96 1.84 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.765 ' C ' HD12 ' C' ' 31' ' ' ILE . . . -152.17 -141.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.765 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -145.19 144.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.157 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -146.12 144.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.856 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.35 146.06 15.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.856 HD12 ' C ' ' C' ' 33' ' ' GLY . 5.7 mp -149.75 148.37 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 110.705 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 35' ' ' MET . 0.0 OUTLIER -149.65 147.06 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.605 HG12 HG22 ' D' ' 36' ' ' VAL . 27.6 m -153.12 153.13 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.17 151.38 23.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.0 148.36 19.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.53 HG23 ' O ' ' C' ' 39' ' ' VAL . 6.1 m -120.12 125.1 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 39' ' ' VAL . 29.2 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.775 0.321 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' D' ' 20' ' ' PHE . 2.8 p -147.54 145.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CD2' HG21 ' E' ' 36' ' ' VAL . 59.1 t80 -155.11 152.61 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.711 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.7 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER 172.16 -171.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.018 0.437 . . . . 0.0 111.28 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 127.67 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -97.17 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.702 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 33.9 t0 -133.4 105.47 6.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.383 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.787 HG12 ' H ' ' D' ' 25' ' ' GLY . 3.9 t -141.76 178.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.787 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 92.15 -86.61 1.24 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -144.59 109.4 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.445 ' N ' HD22 ' D' ' 27' ' ' ASN . 1.4 m-80 -94.2 171.26 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -114.24 163.74 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 102.99 2.81 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -157.16 -129.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.814 ' O ' HD13 ' D' ' 32' ' ' ILE . 9.1 tt -145.1 144.03 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.814 HD13 ' O ' ' D' ' 31' ' ' ILE . 6.3 mm -146.35 145.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.315 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.73 147.31 17.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mp -150.23 148.43 28.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.707 0.289 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' E' ' 35' ' ' MET . 4.1 ppp? -150.19 148.11 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.623 HG12 HG22 ' E' ' 36' ' ' VAL . 34.2 m -153.74 153.22 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.547 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.25 153.15 24.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.41 149.97 21.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.85 154.43 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.864 0.364 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 5.4 m-85 -153.65 151.45 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.206 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.708 ' HD1' ' N ' ' E' ' 20' ' ' PHE . 0.0 OUTLIER -179.07 179.35 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.128 0.49 . . . . 0.0 111.356 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 119.57 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -92.02 113.46 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -136.21 108.87 7.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 24' ' ' VAL . 0.2 OUTLIER -166.75 156.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . 85.17 -34.98 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -143.13 105.43 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.3 172.86 12.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 151.87 51.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.93 99.06 2.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -156.76 -116.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.553 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.801 ' O ' HD13 ' E' ' 32' ' ' ILE . 3.2 pt -145.31 144.62 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.801 HD13 ' O ' ' E' ' 31' ' ' ILE . 6.5 mm -146.0 144.47 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.15 149.52 21.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -150.6 148.41 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.45 ' O ' HG13 ' E' ' 36' ' ' VAL . 12.3 ptm -151.69 149.44 29.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' D' ' 19' ' ' PHE . 29.4 m -156.6 156.06 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.76 153.33 24.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.55 19.85 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -115.81 154.8 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.571 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 9' ' ' GLY . . . . . 0.984 ' N ' ' HA ' ' G' ' 8' ' ' SER . . . . . . . . 0 CA--C 1.522 0.513 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.43 ' H ' ' H ' ' G' ' 10' ' ' TYR . 1.0 OUTLIER -163.81 161.57 23.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.255 0.55 . . . . 0.0 111.458 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.9 pm0 -147.24 145.65 29.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.578 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.989 ' HB ' ' H ' ' G' ' 13' ' ' HIS . 98.6 t -71.35 92.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.497 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.458 ' HA ' ' ND1' ' G' ' 13' ' ' HIS . 25.7 p-80 -96.91 134.0 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 176.81 172.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -148.14 -177.52 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.3 mttt 55.15 -120.73 1.65 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.759 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 0.3 OUTLIER -147.63 144.48 28.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.025 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 1.111 ' O ' HG23 ' G' ' 18' ' ' VAL . 10.0 p 162.19 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.996 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -159.96 159.35 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' G' ' 20' ' ' PHE . 11.3 m-85 -161.87 159.9 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.762 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.718 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -168.46 134.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.69 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 9.9 pt-20 -177.17 132.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 146.65 37.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' F' ' 25' ' ' GLY . 0.2 OUTLIER -136.94 162.92 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.581 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 100.23 -44.93 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' G' ' 27' ' ' ASN . 1.2 m -168.19 91.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.52 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -96.73 109.7 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -103.96 -158.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.488 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.28 89.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -142.8 -178.47 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.402 HG21 HD13 ' F' ' 31' ' ' ILE . 9.7 mt -146.65 145.14 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.397 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.9 145.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 146.12 15.41 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.916 ' H ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.77 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 110.555 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 6.6 tpt -151.45 148.92 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' G' ' 36' ' ' VAL . 14.3 m -151.6 151.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.15 146.42 15.77 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.27 153.32 24.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.56 139.07 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.309 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.577 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 1' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' G' ' 6' ' ' HIS . 26.2 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.78 86.17 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 3' ' ' GLU . . . . . 0.515 ' O ' ' CE1' ' G' ' 6' ' ' HIS . 4.8 mt-10 61.8 124.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -68.11 156.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 50.97 70.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.628 ' N ' ' ND1' ' G' ' 6' ' ' HIS . 0.5 OUTLIER -60.54 120.56 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 7' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' G' ' 8' ' ' SER . 39.5 t0 -119.94 -22.89 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.984 ' HA ' ' N ' ' F' ' 9' ' ' GLY . 0.9 OUTLIER 35.85 42.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 9' ' ' GLY . . . . . 1.286 ' O ' ' N ' ' H' ' 10' ' ' TYR . . . -66.26 -71.45 0.9 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.988 ' HB2' ' O ' ' G' ' 9' ' ' GLY . 0.1 OUTLIER 146.98 -143.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' F' ' 11' ' ' GLU . 3.6 mt-10 -163.89 162.12 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.453 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 1.008 ' O ' HG23 ' H' ' 12' ' ' VAL . 39.1 t 124.84 59.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.989 ' H ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 t-80 -132.4 162.8 30.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.501 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.984 ' CG ' ' H ' ' G' ' 15' ' ' GLN . 81.7 t60 176.0 -164.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.524 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.984 ' H ' ' CG ' ' G' ' 14' ' ' HIS . 33.8 tt0 -139.31 -67.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -90.58 -87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.629 ' N ' ' NE2' ' G' ' 14' ' ' HIS . 1.9 pp -150.05 146.6 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.027 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 1.111 HG23 ' O ' ' F' ' 18' ' ' VAL . 11.2 p 174.58 -173.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.22 0.534 . . . . 0.0 111.32 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 1.017 ' H ' HG22 ' G' ' 18' ' ' VAL . 9.6 t80 -148.06 149.04 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' F' ' 20' ' ' PHE . 9.5 m-85 -144.69 142.82 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' G' ' 19' ' ' PHE . . . -153.37 128.83 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.237 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.69 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.2 OUTLIER 173.22 155.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.856 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.422 ' OD1' ' OD1' ' G' ' 27' ' ' ASN . 3.5 p-10 -102.36 149.2 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.468 HG23 HG13 ' F' ' 24' ' ' VAL . 14.3 p -134.4 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.688 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.29 -69.21 0.23 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.2 p -155.84 95.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.534 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' F' ' 26' ' ' SER . 39.7 t30 -92.04 136.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -109.8 -175.1 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.35 93.54 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.779 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -141.71 -172.27 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -146.2 145.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.294 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.98 145.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.531 ' C ' HD23 ' G' ' 34' ' ' LEU . . . -153.83 151.36 23.1 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.718 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.1 OUTLIER -159.4 159.31 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.912 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' G' ' 35' ' ' MET . 3.8 ppp? -153.95 150.52 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.249 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' F' ' 36' ' ' VAL . 12.3 m -154.6 155.65 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.08 151.42 23.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.9 146.17 15.54 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.66 160.83 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.617 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.631 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.38 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.69 2.65 6.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.45 72.88 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.34 104.8 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -42.43 138.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.0 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' G' ' 8' ' ' SER . 1.3 t -176.02 173.47 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' I' ' 9' ' ' GLY . . . 66.13 67.08 2.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 1.286 ' N ' ' O ' ' G' ' 9' ' ' GLY . 32.7 p90 -138.59 136.43 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 1.264 ' O ' HG13 ' H' ' 12' ' ' VAL . 0.5 OUTLIER -57.36 -70.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.628 0.251 . . . . 0.0 110.675 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 1.264 HG13 ' O ' ' H' ' 11' ' ' GLU . 30.4 m 135.83 -128.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER 157.5 -161.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' H' ' 15' ' ' GLN . 7.7 t-80 78.57 107.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.63 ' OE1' ' ND1' ' I' ' 14' ' ' HIS . 0.0 OUTLIER 158.65 172.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.683 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -96.05 -62.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 1.044 ' O ' HG13 ' H' ' 18' ' ' VAL . 2.1 pp -148.7 145.08 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.737 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 1.044 HG13 ' O ' ' H' ' 17' ' ' LEU . 0.0 OUTLIER 177.64 -177.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.362 0.601 . . . . 0.0 111.663 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.83 ' O ' ' CD2' ' H' ' 20' ' ' PHE . 4.0 t80 -149.41 148.62 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.705 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.83 ' CD2' ' O ' ' H' ' 19' ' ' PHE . 27.4 m-85 -150.75 150.59 31.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.01 107.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 1.7 pm0 -166.1 158.69 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 1.3 p30 -122.73 164.49 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.266 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.776 ' CG1' ' N ' ' H' ' 25' ' ' GLY . 8.4 t -115.69 177.49 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.558 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.776 ' N ' ' CG1' ' H' ' 24' ' ' VAL . . . 82.81 -86.86 1.47 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -157.73 131.43 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.422 HD21 ' HA ' ' G' ' 27' ' ' ASN . 2.7 p-10 -97.04 -173.2 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -128.22 -179.36 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.644 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' G' ' 28' ' ' LYS . . . -94.08 104.39 3.15 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.977 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -151.2 -145.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.639 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.405 HG21 HD13 ' H' ' 31' ' ' ILE . 25.4 mt -144.72 143.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.0 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.94 145.58 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.591 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -147.58 144.24 12.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.814 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -150.72 150.74 31.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' H' ' 35' ' ' MET . 0.7 OUTLIER -146.97 144.5 29.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.091 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.771 HG12 ' H ' ' I' ' 36' ' ' VAL . 19.9 m -152.21 151.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.736 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.66 150.33 22.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.23 146.68 16.54 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.38 130.42 63.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.594 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.41 -169.52 0.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 3' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' I' ' 4' ' ' PHE . 23.9 mm-40 56.67 109.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' I' ' 3' ' ' GLU . 31.8 m-85 -163.65 164.85 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 57.37 160.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -82.76 -0.38 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.55 -65.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 22.0 p -44.79 121.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -148.48 146.81 16.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -145.14 144.73 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.64 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 1.073 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 9.7 pt-20 -144.68 142.99 30.5 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.57 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.641 ' H ' ' HA ' ' J' ' 11' ' ' GLU . 0.4 OUTLIER -124.15 140.33 47.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.601 ' O ' ' CB ' ' H' ' 13' ' ' HIS . 6.2 t60 -152.49 145.09 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.183 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.63 ' ND1' ' OE1' ' H' ' 15' ' ' GLN . 79.3 m-70 -159.08 -163.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.919 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' I' ' 16' ' ' LYS . 28.8 tt0 -128.14 -126.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.663 ' C ' ' O ' ' I' ' 15' ' ' GLN . 62.8 tttt -9.35 -88.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' H' ' 17' ' ' LEU . 2.2 pp -147.54 144.73 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' I' ' 14' ' ' HIS . 0.5 OUTLIER -150.48 149.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.766 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.619 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 29.5 t80 -155.73 152.27 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.724 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 169.12 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 120.47 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.466 ' O ' ' OE1' ' J' ' 22' ' ' GLU . 3.3 mp0 -115.74 89.2 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' J' ' 23' ' ' ASP . 44.5 t0 -100.23 146.38 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.797 HG12 ' H ' ' I' ' 25' ' ' GLY . 6.7 t -139.77 176.95 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.707 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.797 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 99.08 -97.12 1.79 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.546 ' H ' ' HA3' ' J' ' 25' ' ' GLY . 93.8 p -143.89 107.92 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.56 166.39 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.797 ' CD ' ' H ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -103.69 129.64 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.42 102.74 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.977 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -163.6 -126.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.626 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -145.21 144.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.03 147.06 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.859 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.3 149.67 21.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.859 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.9 mp -150.62 149.75 30.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.426 ' C ' HG13 ' I' ' 36' ' ' VAL . 5.4 ptt? -149.07 146.59 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.771 ' H ' HG12 ' H' ' 36' ' ' VAL . 29.8 m -153.34 152.66 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.665 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 150.9 22.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.11 147.2 17.41 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 m -116.49 138.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.576 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.24 118.06 7.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -158.31 -12.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -87.61 156.75 19.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -86.37 0.19 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.89 -46.14 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.94 177.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.479 ' CB ' ' CE1' ' I' ' 10' ' ' TYR . 0.0 OUTLIER 42.32 91.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 9' ' ' GLY . . . . . 0.498 ' CA ' ' HA2' ' I' ' 9' ' ' GLY . . . -63.81 -71.69 0.81 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 1.073 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 29.1 t80 -156.2 154.65 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.573 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.765 ' O ' HG12 ' J' ' 12' ' ' VAL . 0.0 OUTLIER -157.11 157.74 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.765 HG12 ' O ' ' J' ' 11' ' ' GLU . 0.3 OUTLIER 87.05 118.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.795 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 52.1 t-80 -126.19 17.44 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' J' ' 15' ' ' GLN . 1.0 OUTLIER 77.42 -152.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.551 ' CB ' ' O ' ' J' ' 14' ' ' HIS . 1.8 tp-100 85.58 126.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.689 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' I' ' 16' ' ' LYS . 32.7 mmtm 40.07 -104.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.87 146.35 27.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -149.16 148.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 8.1 t80 -153.02 150.55 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.229 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 3.6 p90 175.77 -174.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.264 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.79 130.19 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.429 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' I' ' 22' ' ' GLU . 37.8 mm-40 -135.16 95.7 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.482 ' O ' ' OD1' ' I' ' 23' ' ' ASP . 16.8 t70 -123.95 160.07 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.35 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' J' ' 26' ' ' SER . 18.8 m -53.98 142.87 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.619 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.546 ' HA3' ' H ' ' I' ' 26' ' ' SER . . . -40.57 -22.4 0.05 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.7 OUTLIER -85.82 128.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.64 178.05 6.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.44 77.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.29 6.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.929 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -88.91 -12.5 41.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 tt -149.43 146.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.269 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -149.36 146.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.05 150.68 22.68 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.89 146.16 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.228 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.79 148.53 29.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.519 ' H ' HG12 ' I' ' 36' ' ' VAL . 17.4 m -155.23 153.41 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.96 153.25 24.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.18 150.77 22.67 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -106.26 151.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB3' ' H ' ' B' ' 9' ' ' GLY . 3.2 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.33 69.75 1.23 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -153.63 151.21 29.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.593 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -154.79 154.03 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' OH ' ' B' ' 10' ' ' TYR . 15.4 m -119.97 114.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 10.3 p80 -155.82 166.23 34.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.584 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 1.8 t60 -175.78 -116.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.624 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 12.1 tt0 -157.49 171.23 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.612 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 60.7 mttm 53.12 -95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' C ' ' A' ' 17' ' ' LEU . 2.8 tt -145.61 144.95 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.032 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.79 ' O ' HG23 ' B' ' 18' ' ' VAL . 37.3 t -151.1 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.394 . . . . 0.0 110.64 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' CG2' ' A' ' 36' ' ' VAL . 2.2 p90 -149.76 147.86 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.403 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' B' ' 20' ' ' PHE . 26.8 m-85 -149.65 147.18 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.389 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.92 102.93 3.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' B' ' 22' ' ' GLU . 3.4 pt-20 171.76 157.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -72.71 132.99 44.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.52 114.51 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.73 -70.38 0.5 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.83 117.61 8.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.91 121.55 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -100.53 -168.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.72 80.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.01 -171.74 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.295 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mt -146.52 144.56 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.102 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.739 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.9 pp -149.56 148.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' B' ' 33' ' ' GLY . . . -152.2 149.74 21.48 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.862 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 pt? -153.8 152.83 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.012 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 1.032 ' O ' HG13 ' A' ' 36' ' ' VAL . 28.5 ttt -156.47 152.64 27.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.261 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.069 ' CG1' HG23 ' B' ' 36' ' ' VAL . 0.0 OUTLIER 170.25 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.752 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.762 ' H ' ' HA2' ' B' ' 37' ' ' GLY . . . 67.63 69.67 1.32 Allowed Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.562 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . -142.98 140.52 9.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 39' ' ' VAL . 2.4 p -64.4 53.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 110.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.574 ' N ' ' O ' ' A' ' 38' ' ' GLY . 33.4 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' B' ' 4' ' ' PHE . 14.2 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.71 -10.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.401 ' H ' ' H ' ' B' ' 4' ' ' PHE . 72.2 tt0 -164.23 -13.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' B' ' 1' ' ' ASP . 89.9 m-85 51.06 178.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 6' ' ' HIS . 75.1 mtt85 -76.77 -115.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 5' ' ' ARG . 76.6 m80 56.72 155.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.664 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' B' ' 8' ' ' SER . 2.7 p30 -68.8 -171.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 7' ' ' ASP . 1.4 p 156.53 143.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.411 ' H ' ' HB3' ' A' ' 8' ' ' SER . . . -148.0 145.94 15.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.632 ' OH ' HG12 ' B' ' 12' ' ' VAL . 45.2 t80 -147.77 145.73 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.69 154.02 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.632 HG12 ' OH ' ' B' ' 10' ' ' TYR . 2.7 m -120.62 160.01 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.805 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 26.4 t-80 -178.69 129.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.705 ' CD2' HG21 ' B' ' 18' ' ' VAL . 39.5 m-70 -141.03 -147.96 0.23 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.566 ' N ' ' OE1' ' B' ' 15' ' ' GLN . 19.1 mp0 -128.29 -109.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.893 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 65.6 mmtt -37.44 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.404 HD12 HD22 ' C' ' 17' ' ' LEU . 6.4 tt -148.08 146.11 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.534 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' VAL . 9.5 p -148.55 146.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 8.0 p90 -154.72 152.68 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.73 ' H ' ' HB3' ' C' ' 20' ' ' PHE . 10.7 p90 -168.78 168.89 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.32 116.99 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.225 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.9 pt-20 -178.87 169.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.59 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 41.9 p30 -117.32 155.07 30.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.388 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.48 ' H ' HG13 ' C' ' 24' ' ' VAL . 0.3 OUTLIER -99.24 108.34 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.493 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.1 -94.92 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -154.49 115.78 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.584 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -84.28 154.76 22.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -93.17 -178.97 4.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.7 105.78 1.56 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.63 -160.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.683 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 31' ' ' ILE . 26.2 mt -145.77 145.86 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.164 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 11.7 mt -147.8 145.79 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.282 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -156.18 153.81 25.03 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 3.2 pp -157.63 156.63 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . 1.066 ' O ' HG22 ' B' ' 36' ' ' VAL . 1.9 tmt? -152.56 151.27 30.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.69 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 1.069 HG23 ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER 155.7 -151.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.38 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.762 ' HA2' ' H ' ' A' ' 37' ' ' GLY . . . 153.55 -153.6 24.95 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . -144.0 142.77 11.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -76.62 141.27 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.86 ' H ' HG23 ' A' ' 39' ' ' VAL . 6.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.663 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.9 p30 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.84 -74.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.404 HD22 HD12 ' B' ' 17' ' ' LEU . 6.7 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.668 0.271 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.751 HG12 HG22 ' D' ' 18' ' ' VAL . 3.6 p -150.64 148.24 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.636 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -158.1 156.36 30.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.73 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.59 -169.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.55 112.59 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.314 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.93 116.72 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.693 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 47.1 t0 -140.12 119.65 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.265 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.587 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.6 OUTLIER -128.58 179.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.624 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.587 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 95.47 -87.48 1.03 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p -157.58 108.64 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 14.0 t30 -71.93 -176.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.589 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -131.44 161.8 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.555 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.7 95.01 1.45 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.772 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -148.0 -139.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.57 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -144.48 143.6 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 32' ' ' ILE . 11.5 mt -146.2 144.73 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -150.23 148.09 18.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.684 HD23 ' N ' ' C' ' 34' ' ' LEU . 1.9 pt? -153.84 153.72 32.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.446 ' HB2' HG13 ' B' ' 36' ' ' VAL . 12.5 ptm -148.03 145.17 28.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.077 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.995 ' H ' HG21 ' B' ' 36' ' ' VAL . 18.4 m -150.09 146.85 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.35 153.73 25.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 149.53 21.24 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.402 ' CG2' HG23 ' D' ' 39' ' ' VAL . 6.3 m -94.49 120.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.521 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.751 HG22 HG12 ' C' ' 18' ' ' VAL . 70.2 t -149.53 149.0 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.608 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 28.3 t80 -154.81 151.65 28.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' E' ' 20' ' ' PHE . 0.4 OUTLIER 177.52 -176.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 111.306 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.36 135.98 53.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -113.82 122.13 46.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.787 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -143.92 116.27 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.236 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.518 HG13 ' H ' ' C' ' 24' ' ' VAL . 0.2 OUTLIER -138.06 -174.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.517 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 88.71 -92.13 1.78 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -146.17 106.37 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -86.03 165.66 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.554 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -106.01 153.62 21.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.42 101.8 2.15 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.772 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.35 -127.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 0.0 110.552 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.411 HD13 HG21 ' D' ' 31' ' ' ILE . 12.3 mt -144.31 143.61 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.208 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' D' ' 32' ' ' ILE . 7.0 mt -146.94 145.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.374 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.488 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -149.75 148.29 19.44 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.883 HD23 ' N ' ' D' ' 34' ' ' LEU . 0.7 OUTLIER -152.32 149.19 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' E' ' 35' ' ' MET . 22.6 ptp -150.13 149.36 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.623 HG21 ' CG ' ' C' ' 19' ' ' PHE . 31.4 m -151.89 151.01 12.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.09 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.53 150.19 22.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' C' ' 39' ' ' VAL . 1.7 p -106.61 129.96 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.583 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.894 0.378 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 8.8 m-85 -155.02 153.28 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.647 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER 175.75 -174.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.81 112.46 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.467 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' E' ' 22' ' ' GLU . 1.4 mp0 -101.46 112.01 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.72 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' E' ' 22' ' ' GLU . 90.0 m-20 -137.57 132.1 32.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.63 108.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.85 37.41 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -135.95 149.33 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.602 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -137.61 172.47 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -127.97 -153.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.37 175.03 0.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -70.73 5.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -148.38 145.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.331 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -147.53 146.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -151.37 149.09 20.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mt -149.57 148.13 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.444 ' O ' HG13 ' E' ' 36' ' ' VAL . 2.5 ptt? -152.64 149.82 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.612 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.58 HG22 HG12 ' D' ' 36' ' ' VAL . 27.1 m -156.0 155.57 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.98 153.3 24.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.89 152.91 24.45 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.61 163.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.615 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.549 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.702 ' HA ' ' HA ' ' G' ' 10' ' ' TYR . 13.3 p90 -146.11 144.88 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' G' ' 11' ' ' GLU . 0.0 OUTLIER -60.51 -72.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.995 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.579 HG23 ' H ' ' G' ' 13' ' ' HIS . 27.3 m -147.85 158.66 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.638 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 30.0 t-80 -171.3 82.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.65 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 1.5 m170 162.22 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' F' ' 14' ' ' HIS . 56.0 mm-40 75.4 127.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 74.0 mttt -56.6 -61.98 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.662 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.2 pp -148.48 144.75 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.664 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 1.051 HG22 ' H ' ' F' ' 19' ' ' PHE . 4.5 p 170.62 -169.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.215 0.531 . . . . 0.0 111.287 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 1.051 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -149.6 149.77 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.168 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 1.013 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 27.7 m-85 -148.7 145.29 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.533 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.53 112.72 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.468 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 176.44 177.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.622 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 1.2 p30 -101.21 133.53 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.615 ' H ' HG13 ' G' ' 24' ' ' VAL . 6.3 p -104.55 147.79 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.521 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -56.04 2.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -156.27 117.96 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.705 0.288 . . . . 0.0 110.624 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -102.37 144.15 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.529 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 11.5 mptt -107.03 -172.06 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.37 108.89 2.64 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.5 -164.03 1.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.705 0.288 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -143.32 142.2 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.99 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.75 146.69 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.434 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -147.2 145.99 15.32 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.859 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -149.09 146.76 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.57 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.454 ' O ' ' HA ' ' G' ' 35' ' ' MET . 31.8 ttm -150.65 148.07 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.775 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 11.5 m -152.31 152.64 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.915 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.32 147.95 18.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.81 150.54 22.44 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.438 HG13 HG23 ' G' ' 39' ' ' VAL . 7.6 p -128.9 152.72 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.554 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.408 ' N ' HG22 ' F' ' 39' ' ' VAL . 7.2 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.595 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.4 164.72 13.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.97 -1.52 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 50.65 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 5' ' ' ARG . . . . . 0.432 ' H ' ' HD2' ' G' ' 5' ' ' ARG . 2.4 mpt_? -83.03 -124.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 m80 52.57 12.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' NE ' ' H' ' 5' ' ' ARG . 1.8 m-20 64.88 164.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.539 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -72.04 -54.24 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.57 67.88 1.88 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.903 ' OH ' HG11 ' H' ' 24' ' ' VAL . 3.8 p90 -151.35 149.82 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.428 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' F' ' 11' ' ' GLU . 0.5 OUTLIER -152.37 152.29 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.456 ' N ' ' HG2' ' G' ' 11' ' ' GLU . 0.8 OUTLIER -119.57 150.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.66 ' O ' ' CG ' ' G' ' 14' ' ' HIS . 1.7 t-80 179.82 159.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 30.4 m80 -162.81 -146.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' G' ' 17' ' ' LEU . 1.3 mp0 -138.26 -173.68 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 27.9 mmtp 33.56 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' G' ' 15' ' ' GLN . 1.3 pp -147.01 144.38 29.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.656 HG21 ' CB ' ' G' ' 14' ' ' HIS . 33.8 t -155.38 153.49 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -163.27 161.92 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 1.013 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 19.9 p90 161.96 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.73 127.41 32.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.318 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 2.4 tp10 -98.22 115.22 27.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 7.3 t70 -130.2 108.91 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.299 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.72 HG12 ' H ' ' G' ' 25' ' ' GLY . 1.4 t -126.4 -158.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.679 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.72 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 75.21 -82.03 0.91 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -152.2 110.96 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.649 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' F' ' 28' ' ' LYS . 63.6 t-20 -87.96 92.37 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.634 ' CD ' ' H ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -72.56 -179.13 2.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.81 88.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.46 -171.15 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.527 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -145.32 144.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.114 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.28 145.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 150.26 22.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.778 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.0 pt? -156.06 154.56 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -149.46 148.74 29.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.622 HG12 HG12 ' F' ' 36' ' ' VAL . 7.3 p -153.95 152.09 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.664 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.94 152.48 24.13 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.37 147.49 17.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.538 ' CG1' HG13 ' H' ' 39' ' ' VAL . 2.5 p -126.8 146.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.571 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.23 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 62.22 173.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' H' ' 5' ' ' ARG . 60.2 t80 -169.65 176.71 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 5' ' ' ARG . . . . . 0.622 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 12.4 ttp180 70.99 140.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' H' ' 5' ' ' ARG . 1.3 m-70 -49.32 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -55.87 133.73 51.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' I' ' 8' ' ' SER . 11.0 m -98.99 -1.85 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 0.421 ' N ' ' HA3' ' I' ' 9' ' ' GLY . . . 63.68 69.39 1.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.789 ' CD1' ' CZ ' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -151.73 148.16 27.56 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.382 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 1.184 ' HA ' ' O ' ' I' ' 10' ' ' TYR . 2.7 pm0 -153.43 153.46 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.201 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.653 ' H ' ' HA ' ' I' ' 11' ' ' GLU . 78.7 t -99.81 86.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.3 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.633 ' HA ' ' HB2' ' I' ' 13' ' ' HIS . 8.0 m170 -85.14 165.72 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.437 ' NE2' ' HB3' ' I' ' 13' ' ' HIS . 4.8 p-80 177.24 -178.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' H' ' 17' ' ' LEU . 3.1 mm-40 -138.32 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' G' ' 16' ' ' LYS . 5.6 mptp? 39.01 -89.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.1 pp -144.73 142.73 30.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.886 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 3.5 t -153.11 151.01 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.936 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.549 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.5 OUTLIER -155.56 153.31 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.391 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 169.8 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.033 0.444 . . . . 0.0 111.236 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.68 132.23 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -91.22 117.36 29.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' I' ' 26' ' ' SER . 1.8 t0 -143.95 94.72 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.42 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.903 HG11 ' OH ' ' G' ' 10' ' ' TYR . 2.9 p -139.6 164.17 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.64 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.606 ' N ' HG22 ' H' ' 24' ' ' VAL . . . 100.63 -58.58 0.71 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 26' ' ' SER . . . . . 0.438 ' N ' ' OE2' ' I' ' 3' ' ' GLU . 3.4 m -165.53 115.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.588 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' H' ' 28' ' ' LYS . 0.6 OUTLIER -90.72 167.16 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.67 ' N ' ' ND2' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -126.74 168.37 14.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.31 101.68 2.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.43 -147.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.642 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -144.06 143.63 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.83 144.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.832 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.67 148.13 19.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.832 HD12 ' C ' ' H' ' 33' ' ' GLY . 5.7 mp -149.41 147.91 28.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' I' ' 35' ' ' MET . 15.4 ptm -148.11 145.32 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.305 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 36' ' ' VAL . 10.0 m -154.42 154.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.43 152.23 23.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.39 146.92 17.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.538 HG13 ' CG1' ' G' ' 39' ' ' VAL . 3.5 t -109.27 149.1 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.528 HG23 HG12 ' H' ' 39' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' CE1' ' I' ' 4' ' ' PHE . . . -42.96 108.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 3' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' I' ' 3' ' ' GLU . 1.5 pm0 -41.46 144.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' I' ' 2' ' ' ALA . 66.7 m-85 -124.12 -165.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 44.97 -161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.421 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 2.1 m-70 -95.34 115.12 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 7' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' I' ' 7' ' ' ASP . 1.2 m-20 -117.65 169.57 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.515 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.779 ' HB2' ' N ' ' J' ' 9' ' ' GLY . 0.9 OUTLIER 73.38 109.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.501 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 9' ' ' GLY . . . . . 0.538 ' C ' ' HA3' ' J' ' 9' ' ' GLY . . . -62.23 -68.79 1.51 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 1.254 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.1 OUTLIER -153.0 148.53 27.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 110.56 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.972 ' N ' ' H ' ' J' ' 10' ' ' TYR . 0.6 OUTLIER -153.37 151.59 30.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 110.596 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.744 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 91.3 t 111.81 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.633 ' HB2' ' HA ' ' H' ' 13' ' ' HIS . 1.6 t-160 -80.23 -152.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.566 ' O ' ' ND1' ' I' ' 14' ' ' HIS . 0.1 OUTLIER -156.7 129.17 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' I' ' 17' ' ' LEU . 0.0 OUTLIER 172.2 130.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.476 ' HB3' ' H ' ' I' ' 17' ' ' LEU . 15.7 tptt 38.26 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' I' ' 15' ' ' GLN . 61.1 tp -148.14 145.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.373 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -146.85 145.75 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 19.5 t80 -152.45 149.62 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.9 p90 -177.85 178.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.093 0.473 . . . . 0.0 111.426 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.83 115.21 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' I' ' 11' ' ' GLU . 15.1 mt-10 -91.65 103.37 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.12 115.28 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.534 HG11 ' N ' ' J' ' 25' ' ' GLY . 0.7 OUTLIER -42.88 137.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.411 ' C ' ' OD1' ' H' ' 23' ' ' ASP . . . 45.95 -159.95 0.23 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.515 ' N ' ' OD1' ' H' ' 23' ' ' ASP . 3.5 t -92.86 171.83 8.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' I' ' 27' ' ' ASN . 22.0 p-10 -70.53 153.48 42.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' I' ' 30' ' ' ALA . 10.7 mmtp -75.72 -177.75 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.02 79.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' I' ' 28' ' ' LYS . . . -155.48 -145.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.3 145.5 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.29 148.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.804 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -153.11 150.02 21.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.804 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.4 mp -153.91 153.53 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.39 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' H' ' 35' ' ' MET . 14.4 ptm -151.13 148.97 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.463 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.641 HG12 HG22 ' J' ' 36' ' ' VAL . 32.9 m -154.01 153.29 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.97 155.18 26.1 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 148.14 19.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.34 121.72 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.604 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.98 -71.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 65.17 179.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 51.72 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -43.16 156.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 6' ' ' HIS . . . . . 0.498 ' CD2' ' OD1' ' J' ' 7' ' ' ASP . 5.6 t-160 -158.39 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 7' ' ' ASP . . . . . 0.742 ' HA ' ' OG ' ' I' ' 8' ' ' SER . 9.6 m-20 -69.0 -151.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' J' ' 7' ' ' ASP . 20.6 m 36.66 83.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 9' ' ' GLY . . . . . 0.779 ' N ' ' HB2' ' I' ' 8' ' ' SER . . . -64.6 -71.38 0.87 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 1.254 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.4 OUTLIER 161.69 -161.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.836 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.843 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 6.4 tp10 167.1 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.843 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 62.7 t -37.86 -83.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 65.2 79.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.542 ' CD2' ' HG3' ' J' ' 15' ' ' GLN . 15.1 t60 -173.51 172.67 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.542 ' HG3' ' CD2' ' J' ' 14' ' ' HIS . 55.5 mt-30 47.48 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 9.7 mptt 41.78 -137.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 3.1 mt -147.03 145.15 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 m -151.04 148.5 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 6.0 m-85 -156.33 154.83 31.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.388 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.7 OUTLIER 177.04 -176.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.477 . . . . 0.0 111.198 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.34 108.46 19.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.405 ' OE2' ' OE1' ' I' ' 22' ' ' GLU . 5.9 mm-40 -96.71 101.96 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.8 128.81 25.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.395 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.615 ' C ' ' H ' ' J' ' 26' ' ' SER . 4.8 m -61.89 -165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.534 ' N ' HG11 ' I' ' 24' ' ' VAL . . . -61.69 9.86 0.1 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.615 ' H ' ' C ' ' J' ' 24' ' ' VAL . 53.0 m -82.75 88.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.7 0.286 . . . . 0.0 110.581 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -118.14 163.63 16.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -114.34 135.98 53.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.465 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.6 93.74 1.49 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -168.73 -109.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.549 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.675 ' C ' HD12 ' J' ' 32' ' ' ILE . 12.4 pt -146.14 144.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.194 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.675 HD12 ' C ' ' J' ' 31' ' ' ILE . 5.3 mp -146.45 145.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.383 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.92 149.22 20.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -151.59 150.76 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.63 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.641 HG22 HG12 ' I' ' 36' ' ' VAL . 18.5 m -156.1 155.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.69 155.39 26.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.46 152.63 24.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.43 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 17.7 m -114.81 162.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.521 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' J' ' 39' ' ' VAL . 13.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.658 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.3 68.05 1.86 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -157.85 157.3 32.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.78 150.98 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.354 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -124.96 155.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -177.81 141.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -173.01 -159.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.656 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 75.8 mt-30 -124.98 -162.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 24.1 mtpp 40.23 -103.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.3 143.53 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -151.31 148.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.612 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' CD2' ' B' ' 19' ' ' PHE . 1.5 p90 -155.96 154.73 31.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 49.7 m-85 -157.44 157.22 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' HD23 ' A' ' 34' ' ' LEU . . . -151.64 114.39 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.439 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -160.96 166.15 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 2.5 p30 -131.38 161.32 32.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.484 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -34.84 156.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 24' ' ' VAL . . . 48.2 -157.38 0.93 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -94.37 -169.78 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.472 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -78.26 113.87 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' ALA . 62.6 mttp -92.42 -156.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.82 68.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -156.13 -177.91 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -146.93 144.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.133 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 32' ' ' ILE . 27.6 pt -149.25 148.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.721 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.32 15.74 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -149.56 148.14 29.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.776 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ttp -146.54 144.0 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.239 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 m -148.43 147.54 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.19 152.18 23.79 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -112.18 133.02 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.539 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 t0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.74 175.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 64.18 46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.59 34.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -81.74 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -61.16 142.88 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' B' ' 6' ' ' HIS . 34.9 m-20 55.56 160.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.9 m -167.03 125.67 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.542 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.99 148.74 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' B' ' 10' ' ' TYR . 28.6 p90 -151.41 149.82 29.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 110.796 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.94 148.92 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.554 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.59 136.21 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -150.78 100.43 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' B' ' 15' ' ' GLN . 16.7 p80 -104.02 -142.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.563 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.639 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 30.1 tt0 -146.99 -90.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.602 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 mptp? -49.71 -86.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.2 pp -146.73 144.91 29.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.275 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.428 HG21 ' CB ' ' B' ' 14' ' ' HIS . 44.2 t -153.76 151.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.865 ' CZ ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.88 156.45 31.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.692 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 176.17 -175.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.213 0.53 . . . . 0.0 111.456 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 119.9 17.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.029 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' B' ' 20' ' ' PHE . 5.6 mp0 -98.67 140.06 33.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.161 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.729 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 29.2 t0 -152.46 118.01 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.166 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.31 -169.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.33 -89.96 1.63 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.404 ' N ' HG11 ' A' ' 24' ' ' VAL . 16.8 m -154.09 105.63 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.559 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.416 HD21 ' HG3' ' A' ' 28' ' ' LYS . 19.4 p-10 -78.24 127.77 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -101.13 -175.28 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.05 97.48 0.44 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -148.73 -170.82 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -144.64 143.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.433 ' H ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -145.82 143.67 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.468 ' C ' HD23 ' B' ' 34' ' ' LEU . . . -151.46 149.76 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.928 HD23 ' N ' ' B' ' 34' ' ' LEU . 0.9 OUTLIER -158.28 156.12 30.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' B' ' 35' ' ' MET . 4.1 ppp? -152.0 150.62 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.448 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.603 HG12 ' H ' ' C' ' 36' ' ' VAL . 25.1 m -152.35 152.03 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.6 151.67 23.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 148.52 19.82 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 87.2 t -125.46 150.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.564 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' C' ' 3' ' ' GLU . . . -81.2 154.53 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' C' ' 2' ' ' ALA . 20.5 mt-10 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.71 0.29 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.427 ' HB ' ' HE2' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -150.2 149.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.561 ' C ' ' CD2' ' C' ' 19' ' ' PHE . 2.1 t80 -152.43 149.52 28.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.647 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 173.71 -172.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.473 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.0 113.38 16.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.214 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.438 ' OE1' ' OE2' ' D' ' 22' ' ' GLU . 1.1 mp0 -87.33 110.54 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -129.71 111.51 12.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.363 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.64 176.93 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.5 -87.16 1.24 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.7 m -157.57 121.08 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' C' ' 28' ' ' LYS . 10.3 t-20 -80.67 174.32 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.491 ' N ' ' OD1' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -129.05 164.35 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 91.67 0.61 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -150.76 -151.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.658 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -145.56 145.04 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -147.49 145.85 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.574 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -149.9 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.843 HD23 ' N ' ' C' ' 34' ' ' LEU . 0.6 OUTLIER -155.23 153.26 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' C' ' 35' ' ' MET . 4.2 ppp? -151.78 150.74 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.406 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.603 ' H ' HG12 ' B' ' 36' ' ' VAL . 32.8 m -152.12 151.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.625 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 150.11 21.9 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 148.09 19.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.44 HG12 ' N ' ' C' ' 40' ' ' VAL . 21.8 t -123.37 157.89 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.44 ' N ' HG12 ' C' ' 39' ' ' VAL . 7.7 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.804 0.335 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.512 HG23 HG23 ' E' ' 18' ' ' VAL . 14.9 m -152.35 150.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 26.5 t80 -153.31 150.9 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.199 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.59 ' N ' ' CD2' ' D' ' 19' ' ' PHE . 13.8 p90 175.37 -174.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.184 0.516 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.17 121.78 24.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.372 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' D' ' 20' ' ' PHE . 33.8 mm-40 -98.39 119.94 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.735 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.488 ' CG ' ' ND2' ' D' ' 27' ' ' ASN . 34.8 t0 -137.94 117.46 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.396 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.514 HG12 ' H ' ' D' ' 25' ' ' GLY . 1.5 t -138.1 172.09 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.654 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.514 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 94.87 -97.16 2.11 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.525 ' H ' ' HA3' ' E' ' 25' ' ' GLY . 62.5 p -145.0 103.74 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.317 . . . . 0.0 110.575 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' CG ' ' D' ' 23' ' ' ASP . 1.7 m120 -81.49 171.07 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -104.16 160.88 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.64 100.76 2.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.945 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.23 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.82 144.06 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.137 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.59 147.79 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.483 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -150.91 149.46 21.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.483 HD12 ' C ' ' D' ' 33' ' ' GLY . 3.9 mp -149.27 147.4 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.551 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' E' ' 35' ' ' MET . 8.4 ptm -149.73 147.42 28.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.651 HG12 HG22 ' E' ' 36' ' ' VAL . 33.8 m -154.32 153.33 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.694 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.72 152.71 24.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.88 148.04 18.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -126.53 136.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.557 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.63 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.512 HG23 HG23 ' D' ' 18' ' ' VAL . 2.6 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 2.6 m-85 -157.25 155.47 30.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.79 -170.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.95 107.32 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.5 mp0 -104.75 102.05 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -120.33 145.1 47.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' E' ' 26' ' ' SER . 2.7 p -65.32 161.61 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.54 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -42.3 -18.02 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' E' ' 24' ' ' VAL . 1.4 p -79.01 104.97 10.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.01 -176.1 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.605 ' HD2' ' H ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -101.98 139.61 37.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.78 101.59 2.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.837 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -173.49 -111.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.587 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 21.0 tt -145.75 145.02 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.137 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.4 HG21 HD13 ' E' ' 32' ' ' ILE . 1.8 mt -148.55 147.15 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.445 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.75 148.11 19.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -149.08 147.19 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -151.83 148.98 28.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.651 HG22 HG12 ' D' ' 36' ' ' VAL . 24.7 m -155.73 155.22 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.1 153.39 24.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.98 151.52 23.31 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.21 133.55 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.649 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 11.7 t80 -63.0 -70.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.67 0.272 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.671 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 17.2 pt-20 -151.68 149.21 28.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' G' ' 11' ' ' GLU . 0.4 OUTLIER -103.18 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 13' ' ' HIS . . . . . 0.402 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -132.74 158.78 41.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.646 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.582 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 13.4 t-80 -154.92 -132.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.582 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.7 pt20 -172.25 164.66 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 mttt 57.0 -115.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.721 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.0 pp -149.89 146.52 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 1.034 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.1 p 165.39 -163.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.028 0.442 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 1.034 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.0 OUTLIER -147.94 148.87 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.05 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.744 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 18.0 m-85 -149.32 147.67 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.27 122.51 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.464 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' G' ' 23' ' ' ASP . 31.2 mp0 -88.94 112.8 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.584 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 12.3 t70 -152.66 99.08 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.752 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.667 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 0.6 OUTLIER -49.32 135.58 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.515 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.69 -161.79 23.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 2.5 t -95.02 176.43 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.498 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' F' ' 26' ' ' SER . 57.0 t-20 -71.17 112.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -88.32 -165.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' G' ' 28' ' ' LYS . . . -62.54 95.96 0.14 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.22 179.54 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mt -147.63 147.72 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 1.2 pt -141.07 140.39 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.981 ' H ' ' HA2' ' G' ' 33' ' ' GLY . . . -64.54 -72.73 0.66 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.895 ' HB2' ' O ' ' F' ' 33' ' ' GLY . 2.7 tp 153.79 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.37 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.606 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -164.12 162.22 22.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.684 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.55 148.17 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.192 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.83 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -63.58 -70.77 0.97 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 38' ' ' GLY . . . . . 1.073 ' HA3' ' H ' ' G' ' 38' ' ' GLY . . . 157.85 -156.12 27.05 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.42 HG13 ' H ' ' F' ' 39' ' ' VAL . 0.8 OUTLIER -77.59 149.18 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.556 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.422 ' OXT' ' O ' ' G' ' 40' ' ' VAL . 6.4 t . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.3 -171.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 3' ' ' GLU . . . . . 0.511 ' CG ' ' H2 ' ' H' ' 1' ' ' ASP . 41.5 mt-10 -81.67 -11.32 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' G' ' 5' ' ' ARG . 47.8 t80 51.77 175.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 5' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' G' ' 4' ' ' PHE . 64.0 mtp180 -74.39 18.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' G' ' 4' ' ' PHE . 5.6 t60 -76.86 124.91 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -84.22 76.06 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' H' ' 8' ' ' SER . 3.3 m -55.31 -177.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' F' ' 9' ' ' GLY . . . -151.28 150.65 22.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -148.09 144.02 27.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 33.4 mt-10 -142.51 143.2 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.738 ' N ' ' HB2' ' H' ' 11' ' ' GLU . 4.7 t -109.88 135.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' H' ' 14' ' ' HIS . 0.6 OUTLIER -175.46 95.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.569 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.517 ' H ' ' HG3' ' H' ' 15' ' ' GLN . 4.8 m-70 -111.07 -139.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.671 ' O ' ' C ' ' G' ' 16' ' ' LYS . 47.7 mt-30 -132.26 -143.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.671 ' C ' ' O ' ' G' ' 15' ' ' GLN . 7.1 mttp -6.87 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.782 HD23 ' C ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -145.8 142.86 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.133 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' G' ' 14' ' ' HIS . 68.1 t -147.15 146.38 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.493 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -155.99 153.61 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 1.011 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 4.1 p90 171.8 -170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.469 . . . . 0.0 111.333 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 147.22 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.552 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.649 ' O ' ' O ' ' H' ' 23' ' ' ASP . 18.7 mp0 -112.39 124.1 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 21.0 t0 -157.07 99.02 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.348 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 15.5 m -90.51 -168.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.658 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.667 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 72.02 -106.9 2.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.3 t -151.0 135.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.58 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 26.4 t-20 -83.44 149.5 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -105.41 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 100.26 0.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 -162.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 110.76 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.458 ' C ' ' CG1' ' G' ' 32' ' ' ILE . 23.6 mt -143.7 143.25 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.95 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' F' ' 32' ' ' ILE . 1.7 mt -153.24 152.9 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.982 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.981 ' HA2' ' H ' ' F' ' 33' ' ' GLY . . . -144.22 143.02 11.6 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.773 ' O ' ' O ' ' F' ' 34' ' ' LEU . 4.7 mp -148.12 145.92 28.58 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' F' ' 35' ' ' MET . 10.5 ptp -150.44 146.87 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.218 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' F' ' 36' ' ' VAL . 11.1 m -145.68 146.89 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.508 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.83 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -152.26 149.02 20.63 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 38' ' ' GLY . . . . . 1.073 ' H ' ' HA3' ' F' ' 38' ' ' GLY . . . -153.61 153.45 24.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 85.6 t -86.28 123.82 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.422 ' O ' ' OXT' ' F' ' 40' ' ' VAL . 6.3 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 1' ' ' ASP . . . . . 0.511 ' H2 ' ' CG ' ' G' ' 3' ' ' GLU . 10.2 t70 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.4 136.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -172.89 133.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.523 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -177.93 37.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -102.46 -137.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 4.9 m80 -108.58 -173.68 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.68 -153.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' G' ' 8' ' ' SER . 8.6 t 61.7 141.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 9' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' I' ' 9' ' ' GLY . . . -145.08 143.54 12.01 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.937 ' H ' ' HA ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -58.26 -72.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.708 -0.289 . . . . 0.0 110.761 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.1 pt-20 157.69 -155.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.953 ' HB ' ' H ' ' I' ' 13' ' ' HIS . 2.0 t 61.21 93.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' H' ' 14' ' ' HIS . 3.1 m-70 -120.25 -54.1 2.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' H' ' 13' ' ' HIS . 64.8 m-70 -161.22 136.04 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.565 ' NE2' ' H ' ' H' ' 17' ' ' LEU . 4.8 tm0? 172.16 156.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' I' ' 16' ' ' LYS . 51.3 mmtt -38.42 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.669 HD12 ' C ' ' H' ' 17' ' ' LEU . 1.0 OUTLIER -143.99 142.6 30.79 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.498 ' N ' HD12 ' H' ' 17' ' ' LEU . 2.5 p -150.59 149.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.694 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.597 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.0 OUTLIER -156.5 153.62 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.578 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 1.011 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 161.67 -160.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.436 ' H ' ' HB2' ' H' ' 20' ' ' PHE . . . -109.37 107.22 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.232 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.612 ' C ' ' OH ' ' H' ' 10' ' ' TYR . 2.0 mt-10 -81.01 105.71 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.649 ' O ' ' O ' ' G' ' 22' ' ' GLU . 9.4 t70 -138.42 106.62 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.803 HG22 ' H ' ' H' ' 25' ' ' GLY . 9.8 p -115.03 177.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.803 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 83.52 -72.22 2.87 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -153.11 167.14 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.691 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' G' ' 23' ' ' ASP . 0.9 OUTLIER -127.78 -177.27 4.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.465 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.1 OUTLIER -118.0 165.97 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.48 94.24 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.75 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -153.39 -121.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.631 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -145.54 144.29 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.18 148.93 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.409 . . . . 0.0 110.648 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.48 146.8 16.48 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.708 HD12 ' N ' ' H' ' 34' ' ' LEU . 1.5 mp -151.46 151.21 31.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.984 0.421 . . . . 0.0 110.713 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.554 ' SD ' ' N ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.29 147.74 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.356 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.589 HG22 HG12 ' G' ' 36' ' ' VAL . 34.9 m -151.3 150.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . -154.0 152.11 23.74 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.01 150.4 22.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -111.77 126.02 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.603 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.92 -101.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 47.13 -162.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 t80 56.38 78.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -164.94 -72.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.694 ' CG ' ' H ' ' I' ' 7' ' ' ASP . 46.9 t60 -155.85 -166.95 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 7' ' ' ASP . . . . . 0.694 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 14.0 m-20 -58.11 109.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.507 ' HB3' ' N ' ' J' ' 9' ' ' GLY . 0.2 OUTLIER -60.75 -4.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 9' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . 64.45 69.0 1.45 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' J' ' 10' ' ' TYR . 15.4 m-85 -141.52 141.66 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.802 ' O ' ' O ' ' H' ' 11' ' ' GLU . 23.9 tt0 -148.13 144.01 27.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.087 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.84 HG22 ' H ' ' J' ' 12' ' ' VAL . 1.4 m -138.6 123.1 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.529 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 13' ' ' HIS . . . . . 0.953 ' H ' ' HB ' ' H' ' 12' ' ' VAL . 0.0 OUTLIER 172.95 120.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.428 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.935 ' CG ' ' H ' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -106.95 -130.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.935 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 72.7 tp60 -122.97 -96.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' H' ' 16' ' ' LYS . 20.6 tttp -32.47 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.868 ' N ' ' NE2' ' I' ' 14' ' ' HIS . 2.3 pp -144.87 143.36 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.181 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.996 ' O ' HG21 ' J' ' 18' ' ' VAL . 2.3 p -147.6 145.2 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 9.7 t80 -150.06 147.49 27.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.653 ' N ' ' CD2' ' I' ' 19' ' ' PHE . 0.1 OUTLIER 173.5 -171.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 111.397 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 115.08 18.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.263 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' I' ' 22' ' ' GLU . 3.2 mp0 -87.99 108.27 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.11 111.75 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' I' ' 25' ' ' GLY . 1.4 p -145.06 162.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' I' ' 24' ' ' VAL . . . 117.04 -82.37 0.32 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -145.31 98.51 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.03 -174.5 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -138.95 167.92 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.58 99.59 2.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.75 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -152.42 -131.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -145.65 145.27 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.22 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.31 145.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.728 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.88 149.12 20.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.728 HD12 ' C ' ' I' ' 33' ' ' GLY . 2.6 mp -149.49 148.5 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -146.32 144.84 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.45 HG23 HG23 ' J' ' 36' ' ' VAL . 0.3 OUTLIER -152.92 151.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.374 . . . . 0.0 110.632 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 152.59 24.16 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.91 16.97 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.28 138.65 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.563 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' J' ' 3' ' ' GLU . . . -83.99 -98.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' J' ' 2' ' ' ALA . 47.9 tt0 59.95 121.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -165.64 -72.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -171.02 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -54.56 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 7' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' J' ' 8' ' ' SER . 1.0 OUTLIER 62.36 123.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.601 ' O ' ' O ' ' J' ' 7' ' ' ASP . 2.6 p 53.78 137.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 9' ' ' GLY . . . . . 0.507 ' N ' ' HB3' ' I' ' 8' ' ' SER . . . -60.51 -68.73 1.54 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' I' ' 10' ' ' TYR . 2.6 m-85 -156.29 155.79 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.696 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -153.48 150.57 28.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.84 ' H ' HG22 ' I' ' 12' ' ' VAL . 34.9 t 64.27 104.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.682 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.594 ' H ' ' CB ' ' I' ' 13' ' ' HIS . 7.8 t-80 -81.82 -120.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.535 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 61.6 m80 -162.48 70.16 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.495 ' H ' ' HD2' ' J' ' 16' ' ' LYS . 36.2 tp60 -176.24 57.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER -175.97 -167.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.855 ' O ' ' HB ' ' J' ' 18' ' ' VAL . 17.9 tp -145.89 144.41 30.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 1.01 HG22 ' H ' ' J' ' 19' ' ' PHE . 11.6 p 148.94 -146.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 1.01 ' H ' HG22 ' J' ' 18' ' ' VAL . 5.0 m-85 -156.29 153.68 29.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' J' ' 20' ' ' PHE . 0.0 OUTLIER -157.87 158.32 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.654 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.18 144.94 43.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -103.43 164.33 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -103.65 -111.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.678 HG22 ' N ' ' J' ' 25' ' ' GLY . 14.3 p -175.72 170.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 25' ' ' GLY . . . . . 0.678 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -58.5 -52.67 51.51 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -120.31 103.85 9.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -79.37 170.88 15.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.626 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.05 147.15 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.72 2.78 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.589 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -161.83 -115.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.71 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -147.47 146.94 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.279 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.71 146.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.69 150.05 21.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.55 150.06 30.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.72 145.26 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.221 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.621 HG21 ' CD2' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -151.82 151.46 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.776 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.02 149.68 21.43 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.16 148.61 20.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.55 156.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.66 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.54 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.76 158.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -77.26 -177.57 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.542 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -47.86 95.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.69 HH22 ' H2 ' ' B' ' 1' ' ' ASP . 9.9 ptm180 -95.22 127.74 41.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -150.4 -19.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.473 ' OD1' ' OE1' ' B' ' 11' ' ' GLU . 2.8 m-20 -77.21 -111.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.195 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER -38.78 138.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.505 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.678 ' HA2' ' HA3' ' B' ' 9' ' ' GLY . . . 62.95 68.35 1.7 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.772 ' H ' ' H ' ' B' ' 10' ' ' TYR . 0.4 OUTLIER 152.15 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' B' ' 11' ' ' GLU . 4.7 tt0 -147.43 144.93 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.101 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' HB ' ' H ' ' B' ' 12' ' ' VAL . 54.3 t -109.89 122.7 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -166.28 -174.52 2.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.724 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 2.0 t60 -168.42 -125.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.703 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' LEU . 82.9 mt-30 -141.81 145.19 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.708 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' C ' ' NE2' ' B' ' 14' ' ' HIS . 68.2 mmtt 54.83 -76.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.48 146.92 28.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.194 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' PHE . 3.1 p -159.07 158.28 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.426 . . . . 0.0 110.99 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -152.95 152.45 31.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.429 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -151.71 148.35 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.474 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.917 ' HB2' HD23 ' B' ' 34' ' ' LEU . . . -156.43 108.43 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' H ' ' HB3' ' B' ' 22' ' ' GLU . 15.8 pt-20 174.84 167.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -80.24 125.62 30.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 117.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.69 -78.24 0.3 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 p -143.46 118.93 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.41 101.81 4.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -102.82 -161.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 76.71 0.02 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -153.97 175.32 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.386 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -145.78 143.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.244 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -147.83 146.69 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.47 151.21 23.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.75 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.4 pt? -154.09 151.29 29.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ttt -150.85 149.59 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.704 HG13 ' CE1' ' A' ' 19' ' ' PHE . 35.7 m -150.38 149.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.739 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 148.86 20.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.2 22.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' B' ' 39' ' ' VAL . 12.4 m -132.95 165.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.615 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.502 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.69 ' H2 ' HH22 ' A' ' 5' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 3' ' ' GLU . . . -169.67 88.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' B' ' 2' ' ' ALA . 64.0 mt-10 57.22 125.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -163.89 73.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -170.91 144.71 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -58.6 165.33 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' B' ' 9' ' ' GLY . 22.0 t70 48.01 29.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.8 t 48.42 -85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.678 ' HA3' ' HA2' ' A' ' 9' ' ' GLY . . . 155.43 -152.32 23.82 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.909 ' HA ' ' HA ' ' C' ' 10' ' ' TYR . 0.1 OUTLIER -165.0 165.13 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.754 ' C ' HG23 ' B' ' 12' ' ' VAL . 2.1 pt-20 -153.23 152.25 30.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.718 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.977 ' O ' ' HA ' ' C' ' 12' ' ' VAL . 3.3 t 89.76 120.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.519 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.746 ' ND1' ' N ' ' B' ' 14' ' ' HIS . 0.0 OUTLIER 165.2 145.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.366 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.907 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 0.7 OUTLIER -173.62 -149.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.723 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.907 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 14.7 mm100 -130.43 -101.84 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' B' ' 15' ' ' GLN . 17.6 tttt -33.97 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.428 ' H ' ' HB3' ' B' ' 16' ' ' LYS . 6.0 tt -146.07 143.35 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.031 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' B' ' 20' ' ' PHE . 6.6 p -150.44 149.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.8 t80 -145.08 143.16 30.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.114 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' B' ' 19' ' ' PHE . 27.7 m-85 -146.61 144.83 29.81 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.94 106.69 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.613 ' H ' ' HB3' ' C' ' 22' ' ' GLU . 2.1 pt-20 174.88 142.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD2' ' O ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -68.36 140.93 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.714 HG13 ' N ' ' B' ' 25' ' ' GLY . 0.4 OUTLIER -82.94 179.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.676 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.714 ' N ' HG13 ' B' ' 24' ' ' VAL . . . 62.87 -95.59 0.13 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.523 ' O ' ' OD2' ' B' ' 23' ' ' ASP . 8.7 t -132.33 179.21 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.672 0.272 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 28' ' ' LYS . 14.1 t-20 -138.55 163.94 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.544 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 1.6 mmmm -128.43 -159.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 92.88 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.746 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -157.16 -172.32 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.491 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.795 ' C ' HD12 ' B' ' 32' ' ' ILE . 39.3 mt -144.74 143.58 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.254 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.795 HD12 ' C ' ' B' ' 31' ' ' ILE . 4.7 mp -146.71 144.7 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.2 149.85 21.71 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 1.053 HD12 ' N ' ' B' ' 35' ' ' MET . 0.2 OUTLIER -153.34 150.47 28.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . 1.053 ' N ' HD12 ' B' ' 34' ' ' LEU . 8.6 ttt -147.48 146.29 29.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.693 ' H ' HG12 ' A' ' 36' ' ' VAL . 28.2 m -153.77 152.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.82 152.06 23.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.61 147.0 17.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 39' ' ' VAL . 2.4 p -124.34 126.86 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.546 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' C' ' 2' ' ' ALA . 13.4 t0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 1' ' ' ASP . . . -51.71 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -70.9 68.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -77.63 79.74 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 46.96 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' C' ' 6' ' ' HIS . 48.0 t-80 -163.89 38.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' C' ' 8' ' ' SER . 27.1 t0 64.57 162.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 63.5 p -175.84 113.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' B' ' 9' ' ' GLY . . . -148.12 146.9 17.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.909 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 1.0 OUTLIER -143.48 142.84 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.399 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 1.16 ' CA ' ' HB3' ' D' ' 11' ' ' GLU . 1.6 pt-20 -141.67 140.98 33.35 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.916 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 1.055 ' H ' ' HB2' ' D' ' 11' ' ' GLU . 0.8 OUTLIER -118.31 130.28 73.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.936 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.733 ' H ' ' HB2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -128.84 114.62 16.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.479 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' N ' ' C' ' 15' ' ' GLN . 0.5 OUTLIER -118.27 -150.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.66 ' N ' ' CG ' ' C' ' 14' ' ' HIS . 53.4 tt0 -147.81 -77.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' D' ' 16' ' ' LYS . 23.9 tttp -72.03 -70.27 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.11 145.85 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.365 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.42 ' CG1' ' CG ' ' C' ' 14' ' ' HIS . 2.5 p -146.89 145.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.581 ' CD2' ' N ' ' C' ' 20' ' ' PHE . 3.4 t80 -150.75 147.3 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.119 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CE2' ' CD2' ' D' ' 20' ' ' PHE . 36.9 p90 -174.02 174.62 2.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 111.429 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' D' ' 32' ' ' ILE . . . -170.15 138.63 1.68 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.425 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.613 ' HB3' ' H ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER 174.25 160.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.941 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' D' ' 26' ' ' SER . 34.3 t70 -91.66 135.37 33.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.124 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.697 HG21 ' O1P' ' D' ' 101' ' ' 2PO . 0.6 OUTLIER -91.99 78.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.779 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 24' ' ' VAL . . . 173.29 -102.61 0.18 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -134.98 128.6 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.491 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' B' ' 27' ' ' ASN . 0.2 OUTLIER -78.45 101.64 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.47 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 30' ' ' ALA . 28.6 mtpt -78.56 -176.64 4.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.27 88.52 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' D' ' 28' ' ' LYS . . . -161.65 -175.72 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.562 ' H ' ' HA ' ' D' ' 30' ' ' ALA . 7.4 tt -143.31 144.3 23.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' D' ' 32' ' ' ILE . 0.1 OUTLIER -147.77 142.74 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.639 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -154.27 153.41 24.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 4.6 mp -154.2 151.94 29.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' B' ' 35' ' ' MET . 7.8 ttt -145.1 145.31 31.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.787 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 1.034 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -148.87 146.51 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.599 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.27 148.94 20.7 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 0.71 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -148.54 147.23 17.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.0 147.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.518 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.613 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.03 80.29 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -142.75 -42.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -56.52 107.78 0.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 55.28 51.29 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.475 ' CG ' ' H ' ' D' ' 7' ' ' ASP . 0.9 OUTLIER -90.5 -152.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.607 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.475 ' H ' ' CG ' ' D' ' 6' ' ' HIS . 0.8 OUTLIER -106.7 154.71 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.3 OUTLIER -124.74 -84.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.571 ' HA3' ' H ' ' C' ' 10' ' ' TYR . . . 158.61 -158.32 29.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.838 ' CB ' ' O ' ' E' ' 9' ' ' GLY . 0.9 OUTLIER -157.3 155.67 31.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.385 179.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 1.16 ' HB3' ' CA ' ' C' ' 11' ' ' GLU . 0.0 OUTLIER 160.73 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.767 ' O ' ' CG ' ' D' ' 13' ' ' HIS . 73.6 t 76.53 129.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.291 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 1.011 ' HB2' ' H ' ' E' ' 13' ' ' HIS . 9.0 m80 137.83 172.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.891 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' N ' ' D' ' 15' ' ' GLN . 21.1 t-80 159.3 -100.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.434 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.66 ' N ' ' CG ' ' D' ' 14' ' ' HIS . 40.8 tt0 -176.42 34.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' C' ' 16' ' ' LYS . 18.2 tptp -147.54 -104.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.7 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.4 145.58 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.745 0.307 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.551 HG21 HG13 ' D' ' 12' ' ' VAL . 3.7 m -146.31 146.04 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.62 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 2.6 t80 -152.89 148.6 27.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CE2' ' C' ' 20' ' ' PHE . 0.2 OUTLIER 165.96 -164.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 111.126 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.07 122.51 9.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.263 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -122.15 128.98 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.548 ' O ' HG22 ' C' ' 24' ' ' VAL . 0.0 OUTLIER -128.9 142.54 50.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.173 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.702 ' O ' ' N ' ' D' ' 26' ' ' SER . 6.3 p -50.15 164.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.685 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.637 ' N ' HG22 ' D' ' 24' ' ' VAL . . . -52.83 71.45 0.0 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.702 ' N ' ' O ' ' D' ' 24' ' ' VAL . 14.4 p -145.64 85.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.433 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.503 ' ND2' HD11 ' D' ' 31' ' ' ILE . 0.4 OUTLIER -97.42 104.68 16.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -98.17 -166.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.648 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -43.47 -174.23 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -31.56 113.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.224 . . . . 0.0 110.574 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.927 HG23 ' O ' ' E' ' 30' ' ' ALA . 1.5 pp -154.43 154.3 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.096 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.731 ' O ' ' HB ' ' C' ' 32' ' ' ILE . 84.0 mt 66.14 72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.831 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.719 ' O ' ' HB3' ' D' ' 34' ' ' LEU . . . -145.91 141.47 9.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 1.232 ' HB2' ' O ' ' E' ' 34' ' ' LEU . 1.0 OUTLIER 161.32 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.139 0.495 . . . . 0.0 111.228 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' I' ' 36' ' ' VAL . 2.0 ptm -158.58 157.78 32.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.483 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 1.034 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -152.87 153.19 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.556 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -154.54 152.56 24.11 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.71 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -152.88 150.9 22.76 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -122.01 153.41 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.64 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 71.42 2.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -173.16 -8.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' E' ' 5' ' ' ARG . 36.0 t80 -115.8 -86.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 5' ' ' ARG . . . . . 0.436 ' N ' ' CD2' ' E' ' 4' ' ' PHE . 24.2 ttt180 46.25 -137.29 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' HIS . . . . . 0.687 ' CG ' ' H ' ' E' ' 7' ' ' ASP . 9.8 t-80 -87.83 -165.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.509 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ASP . . . . . 0.687 ' H ' ' CG ' ' E' ' 6' ' ' HIS . 5.1 m-20 -76.85 99.58 5.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.533 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 67.2 m -53.15 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.592 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 0.838 ' O ' ' CB ' ' D' ' 10' ' ' TYR . . . -164.04 163.62 36.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.747 ' O ' ' CD ' ' C' ' 11' ' ' GLU . 4.5 p90 -157.85 154.5 28.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 110.763 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 1.007 ' HB2' ' HB2' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -155.82 154.34 31.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.875 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.644 ' O ' ' CB ' ' E' ' 13' ' ' HIS . 0.0 OUTLIER 32.41 -91.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.112 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 1.011 ' H ' ' HB2' ' D' ' 13' ' ' HIS . 4.7 t-80 93.91 113.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.367 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.821 ' H ' ' CG ' ' D' ' 13' ' ' HIS . 1.9 t-80 82.15 131.05 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.531 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.732 HE21 ' HA ' ' D' ' 13' ' ' HIS . 5.7 tt0 -155.33 178.7 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.613 ' H ' ' CG ' ' E' ' 15' ' ' GLN . 33.8 ttpt -75.54 -52.23 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -146.83 144.37 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.178 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.548 HG12 HG22 ' D' ' 18' ' ' VAL . 10.7 m -151.01 149.97 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.813 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 47.5 m-85 -152.78 149.44 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' E' ' 19' ' ' PHE . 1.1 p90 161.71 -160.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.415 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.29 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.133 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -80.11 118.69 22.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 1.2 m-20 -135.11 114.26 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' E' ' 26' ' ' SER . 30.3 m -128.37 173.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.653 ' C ' HG11 ' D' ' 24' ' ' VAL . . . 65.02 -74.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.517 ' CA ' HG11 ' D' ' 24' ' ' VAL . 25.1 p -135.83 167.06 21.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.515 ' CG ' ' H ' ' E' ' 28' ' ' LYS . 63.3 t30 -150.7 -174.29 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CG ' ' E' ' 27' ' ' ASN . 35.3 mttt -90.57 173.05 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.683 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -127.47 118.07 2.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 160.87 -105.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.936 ' HA ' ' O ' ' D' ' 30' ' ' ALA . 14.1 tt -143.5 141.61 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.854 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -146.0 145.08 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' E' ' 34' ' ' LEU . . . 162.75 -160.82 33.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 1.232 ' O ' ' HB2' ' D' ' 34' ' ' LEU . 1.1 pp 159.15 -159.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.668 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -147.03 145.16 29.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.302 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.665 ' O ' HG12 ' D' ' 36' ' ' VAL . 0.2 OUTLIER -153.74 153.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.818 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -152.73 150.77 22.61 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.52 147.77 18.44 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 40' ' ' VAL . 3.0 m -107.01 158.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 39' ' ' VAL . 84.5 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.541 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.77 -74.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.47 -55.55 23.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -154.9 -62.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.487 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -142.2 -170.97 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.537 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -66.98 -112.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.48 144.16 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.176 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 45.5 t -150.48 -178.07 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 9' ' ' GLY . . . . . 0.511 ' HA2' ' HA2' ' G' ' 9' ' ' GLY . . . -146.52 144.68 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' G' ' 10' ' ' TYR . 12.0 t80 -147.77 147.39 29.83 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 14.3 pt-20 -152.13 148.34 27.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.145 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.857 ' HB ' ' H ' ' G' ' 12' ' ' VAL . 69.7 t -111.4 136.34 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.34 155.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.651 ' H ' ' HB2' ' G' ' 15' ' ' GLN . 5.9 t-80 -173.52 -137.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.571 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 8.0 pt20 -136.73 179.46 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.642 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.5 mttm 40.24 -101.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 144.22 29.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.22 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.451 ' O ' HG13 ' G' ' 18' ' ' VAL . 67.6 t -147.88 146.78 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' CG1' ' F' ' 36' ' ' VAL . 0.1 OUTLIER -153.89 150.88 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 1.007 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 37.7 m-85 -159.35 158.65 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 1.07 ' HB2' HD21 ' G' ' 34' ' ' LEU . . . -137.55 99.76 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.304 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 179.62 179.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' G' ' 23' ' ' ASP . 20.8 p-10 -110.33 151.88 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.45 HG22 ' H ' ' F' ' 24' ' ' VAL . 1.9 m -74.96 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 -78.49 1.59 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -153.27 164.02 38.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.445 ' CG ' ' N ' ' F' ' 28' ' ' LYS . 30.8 t30 -106.66 167.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' F' ' 27' ' ' ASN . 26.8 mmtp -128.48 -165.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.41 100.47 1.41 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.5 -163.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.673 0.273 . . . . 0.0 110.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -144.01 142.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 pt -152.61 150.32 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -149.14 148.51 19.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.838 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.2 146.58 28.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttt -148.13 145.65 28.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.577 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 2.8 m -147.58 146.79 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.547 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -150.71 147.75 18.15 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.65 156.96 27.76 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.41 133.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.619 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.61 -79.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.17 -169.62 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -136.83 -179.36 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -74.02 -178.75 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 53.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.57 133.66 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.4 OUTLIER -85.64 -25.21 26.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . 159.35 -156.35 27.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.6 OUTLIER -166.45 166.77 16.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' H' ' 11' ' ' GLU . 1.9 pt-20 -150.92 149.62 29.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.884 ' HB ' ' HA ' ' H' ' 12' ' ' VAL . 1.4 t 72.91 113.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.58 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.551 ' C ' ' O ' ' H' ' 13' ' ' HIS . 84.6 t60 -134.13 -54.9 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 31.4 m80 -162.85 135.36 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' F' ' 14' ' ' HIS . 32.6 tt0 169.66 162.17 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.552 ' N ' ' CG ' ' G' ' 15' ' ' GLN . 0.0 OUTLIER -47.67 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.91 144.1 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.056 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.535 ' O ' HG23 ' H' ' 18' ' ' VAL . 30.4 t -152.28 151.37 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -157.68 154.49 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 1.007 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.0 OUTLIER 165.65 -165.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.71 118.78 32.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.31 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.64 130.83 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' F' ' 23' ' ' ASP . 18.8 t70 -154.47 114.13 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.05 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' H' ' 10' ' ' TYR . 14.7 m -89.36 -170.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.813 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.1 -109.77 2.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -143.13 137.95 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 41.7 t-20 -72.46 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.46 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 0.8 OUTLIER -105.37 167.04 10.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.79 89.96 0.09 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.22 -156.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -146.15 145.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.175 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.31 145.68 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.445 ' C ' ' HG ' ' G' ' 34' ' ' LEU . . . -151.97 149.0 20.64 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 1.07 HD21 ' HB2' ' F' ' 21' ' ' ALA . 0.0 OUTLIER -156.02 155.77 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.664 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -153.44 151.49 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.653 HG13 ' CE2' ' G' ' 19' ' ' PHE . 0.1 OUTLIER -148.83 148.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -149.04 146.78 16.57 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.35 147.89 18.71 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.98 137.22 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.548 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.94 177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 3' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' H' ' 4' ' ' PHE . 34.3 mt-10 42.85 51.63 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' H' ' 6' ' ' HIS . 15.2 t80 -47.82 178.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 5' ' ' ARG . . . . . 0.465 ' O ' ' ND1' ' H' ' 6' ' ' HIS . 74.3 mtt180 -40.55 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' H' ' 4' ' ' PHE . 59.0 m-70 -148.87 -159.32 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' H' ' 8' ' ' SER . 0.8 OUTLIER -138.19 -62.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.178 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 15.6 m 58.69 145.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -151.54 148.29 19.15 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' H' ' 9' ' ' GLY . 22.0 m-85 -152.41 150.59 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' G' ' 11' ' ' GLU . 64.1 tt0 -146.15 146.65 30.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.479 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.884 ' HA ' ' HB ' ' G' ' 12' ' ' VAL . 2.2 m -131.32 141.99 44.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.765 0.317 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.551 ' O ' ' C ' ' G' ' 13' ' ' HIS . 1.4 t-80 -167.06 132.37 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.543 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.1 OUTLIER -136.0 -168.01 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.611 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 38.2 tt0 -110.54 -95.72 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 22.4 tptt -41.1 -87.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.745 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.418 ' H ' ' HB3' ' H' ' 16' ' ' LYS . 2.4 pp -146.82 145.56 29.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.535 HG23 ' O ' ' G' ' 18' ' ' VAL . 1.2 p -147.49 145.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -153.93 151.07 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.389 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.806 ' H ' ' HB3' ' I' ' 20' ' ' PHE . 0.4 OUTLIER 174.47 -173.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 111.396 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.34 99.57 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.147 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.414 ' OE1' ' OH ' ' I' ' 10' ' ' TYR . 63.5 mm-40 -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -141.12 121.92 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -92.3 179.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.479 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 90.43 -112.18 4.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -148.06 161.75 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' G' ' 28' ' ' LYS . 9.6 t30 -80.29 175.81 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -137.28 169.63 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 92.85 0.86 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -156.99 -150.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.563 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 mt -145.42 144.8 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.173 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.01 145.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.803 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -148.05 145.74 14.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.803 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.4 mp -147.98 146.93 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.7 mtt -147.29 145.03 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -150.65 150.46 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.78 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.06 147.09 17.2 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.17 123.75 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -141.36 107.98 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' I' ' 6' ' ' HIS . 87.3 m-85 -79.25 171.45 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -60.57 74.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' I' ' 4' ' ' PHE . 15.4 m-70 -106.3 -169.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 7' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' I' ' 8' ' ' SER . 59.3 m-20 -80.51 -100.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 5.9 m 60.39 129.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.12 146.49 15.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.798 ' C ' ' O ' ' J' ' 10' ' ' TYR . 2.4 t80 -144.95 144.69 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' I' ' 10' ' ' TYR . 36.9 mt-10 -145.24 143.22 30.14 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.725 ' H ' ' N ' ' J' ' 12' ' ' VAL . 1.1 t -115.67 149.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.308 . . . . 0.0 110.434 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.747 ' CD2' ' H ' ' I' ' 14' ' ' HIS . 8.8 t-160 -153.68 172.56 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.546 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.841 ' CD2' ' H ' ' I' ' 15' ' ' GLN . 53.8 t60 -177.25 -174.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.841 ' H ' ' CD2' ' I' ' 14' ' ' HIS . 3.4 tp-100 -119.48 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' J' ' 16' ' ' LYS . 4.9 tmtt? -79.95 -77.0 0.2 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.931 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.0 pp -147.81 145.32 28.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.609 ' CG2' ' CE1' ' I' ' 20' ' ' PHE . 2.9 p -148.18 146.87 17.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.453 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.836 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -154.91 151.87 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.806 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.19 -168.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.94 146.08 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' J' ' 23' ' ' ASP . 3.5 mm-40 -125.23 110.75 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.638 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.518 ' OD1' ' ND2' ' J' ' 27' ' ' ASN . 25.5 t70 -135.87 117.2 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.198 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.404 ' H ' HG12 ' J' ' 24' ' ' VAL . 22.5 m -113.22 -175.95 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' H' ' 3' ' ' GLU . . . 89.34 -104.83 3.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -147.72 114.62 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -75.12 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -106.05 170.12 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.28 102.96 1.99 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.755 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.4 -141.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.89 144.14 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -146.92 145.03 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.453 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -152.29 149.54 21.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 1.4 mp -153.63 152.77 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -149.17 148.06 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' D' ' 35' ' ' MET . 0.2 OUTLIER -149.57 147.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.345 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.32 152.34 23.99 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.24 147.64 18.23 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.743 HG22 HD11 ' E' ' 31' ' ' ILE . 5.3 p -123.87 127.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.312 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.5 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.83 121.51 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.43 -49.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' J' ' 4' ' ' PHE . 78.5 t80 -75.58 -1.06 22.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -73.38 -53.51 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 6' ' ' HIS . . . . . 0.539 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.4 p-80 -150.46 -175.82 5.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.64 114.15 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.7 OUTLIER -73.78 -2.56 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.54 -165.63 38.78 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.798 ' O ' ' C ' ' I' ' 10' ' ' TYR . 0.7 OUTLIER -163.93 163.97 23.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.958 0.409 . . . . 0.0 110.965 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.655 ' O ' HG12 ' J' ' 12' ' ' VAL . 1.1 pm0 -154.41 151.87 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.331 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.725 ' N ' ' H ' ' I' ' 12' ' ' VAL . 0.4 OUTLIER 81.86 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.1 t-80 -149.0 42.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.9 t60 85.26 114.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' J' ' 16' ' ' LYS . 0.2 OUTLIER -167.35 178.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' I' ' 16' ' ' LYS . 63.2 mmtt -128.72 140.18 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.931 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 4.1 mm? 61.26 70.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.14 145.51 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.836 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 13.5 t80 -153.24 151.67 30.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -171.25 170.85 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.026 0.441 . . . . 0.0 111.216 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.04 104.36 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -86.63 102.9 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.629 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' I' ' 22' ' ' GLU . 53.3 t0 -135.22 119.37 17.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.404 HG12 ' H ' ' I' ' 24' ' ' VAL . 12.1 m -135.51 -174.1 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -93.55 1.78 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -137.13 117.35 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OD1' ' I' ' 23' ' ' ASP . 1.8 m120 -78.62 170.32 16.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -107.58 137.66 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.49 92.53 1.51 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.31 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.606 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -148.47 147.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' J' ' 32' ' ' ILE . 1.7 mt -147.27 146.72 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.97 151.36 23.09 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -154.35 153.95 32.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.701 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.32 146.39 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.443 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.11 153.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.565 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.09 156.16 26.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.67 149.97 21.8 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.24 135.68 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.567 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.195 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.176 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.178 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.53 132.29 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 5' ' ' ARG . 8.0 mt-10 -45.78 129.46 9.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -77.23 26.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 3' ' ' GLU . 72.2 mtp180 -80.13 159.07 26.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.621 ' CG ' ' H ' ' A' ' 7' ' ' ASP . 2.4 t60 -67.17 -121.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.621 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 38.3 t0 -66.05 95.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.63 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 6.8 t -48.85 110.79 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.88 153.05 24.56 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -149.43 148.08 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -152.48 150.57 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.1 154.9 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.574 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -177.05 126.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.7 t-80 -166.0 -150.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 mt-30 -134.24 -173.85 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 61.1 mttm 50.02 -103.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -146.81 145.07 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.258 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -148.96 147.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -152.88 151.28 30.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.868 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 30.9 m-85 -157.65 157.15 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.32 109.76 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.418 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.03 175.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.704 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.576 ' OD1' ' ND2' ' A' ' 27' ' ' ASN . 21.5 p-10 -108.23 142.87 37.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.42 107.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.534 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.74 -97.06 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -138.23 123.5 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.576 ' ND2' ' OD1' ' A' ' 23' ' ' ASP . 8.0 m120 -88.51 131.67 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -93.97 -165.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 92.58 0.3 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.21 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.492 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -146.91 145.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -148.84 147.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.37 149.69 21.5 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.03 149.29 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 tpt -148.8 146.45 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 HG22 ' B' ' 36' ' ' VAL . 11.8 m -149.62 149.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.659 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 148.87 20.48 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.07 151.67 23.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p -120.7 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.594 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' OXT' HG22 ' A' ' 40' ' ' VAL . 6.1 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.4 -143.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.57 124.33 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -165.16 95.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.466 ' O ' ' CD2' ' B' ' 6' ' ' HIS . 17.6 ttm180 -151.37 -42.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.587 ' N ' HH12 ' C' ' 5' ' ' ARG . 30.4 m80 -154.26 177.75 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.95 165.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.618 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 4.2 m -143.36 135.05 26.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -155.29 154.35 25.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 13.5 m-85 -149.22 147.63 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.26 147.52 28.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.612 HG22 HG12 ' C' ' 12' ' ' VAL . 31.3 m -113.75 140.71 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -148.83 166.37 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.482 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.612 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 6.3 t-80 -174.05 -149.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.612 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 61.8 mt-30 -148.35 -32.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 6.1 mptp? -111.0 -85.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.43 144.87 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.231 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.505 ' CG2' ' CG ' ' B' ' 14' ' ' HIS . 71.8 t -151.59 150.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.59 156.73 28.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.868 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.06 -168.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 111.315 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 117.11 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.181 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -91.55 129.71 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 18.8 t70 -144.89 111.2 5.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.185 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -178.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.625 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 -96.41 2.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -157.4 116.23 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -74.75 158.81 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 175.56 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.26 95.56 0.3 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -147.48 -160.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.39 144.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.204 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -146.75 145.05 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.77 151.49 23.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.83 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.7 pt? -159.3 158.53 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 12.4 ttt -150.94 149.06 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.328 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 36' ' ' VAL . 32.2 m -150.59 150.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.06 151.03 22.88 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.14 20.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' VAL . 92.6 t -103.98 117.89 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.476 HG12 ' OXT' ' B' ' 40' ' ' VAL . 89.3 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.99 107.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' C' ' 4' ' ' PHE . 63.2 tt0 -144.52 96.95 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' C' ' 3' ' ' GLU . 8.9 m-85 -141.74 131.52 24.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.587 HH12 ' N ' ' B' ' 6' ' ' HIS . 4.7 tpt180 -164.51 148.48 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -86.65 41.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' C' ' 8' ' ' SER . 12.6 t0 -171.8 -104.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 7.1 m 54.24 110.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.509 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.28 150.44 22.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' C' ' 10' ' ' TYR . 0.0 OUTLIER -149.72 149.15 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.521 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' D' ' 11' ' ' GLU . 27.4 tt0 -149.91 147.97 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.612 HG12 HG22 ' B' ' 12' ' ' VAL . 34.8 m -120.14 144.01 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.47 ' ND1' ' OE1' ' D' ' 15' ' ' GLN . 22.5 t60 -168.72 106.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' C' ' 18' ' ' VAL . 28.0 m-70 -115.62 -128.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' C' ' 16' ' ' LYS . 18.8 tt0 -146.95 -110.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 8.3 tttm -34.09 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.42 ' H ' ' HB3' ' C' ' 16' ' ' LYS . 1.9 pp -147.69 145.67 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 2.4 p -149.41 146.86 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -156.77 155.08 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.604 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 172.32 -171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 111.172 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.28 124.01 41.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.24 118.32 31.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -140.46 106.65 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.458 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.5 OUTLIER -117.94 173.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.458 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.26 -82.78 1.16 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -155.63 136.34 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 61.8 t30 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.634 ' HD3' ' H ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -136.31 157.07 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.69 88.62 1.57 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -154.11 -138.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.731 0.3 . . . . 0.0 110.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 mt -145.33 144.31 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.41 145.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.429 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.732 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -149.62 147.28 17.43 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 ' C ' ' C' ' 33' ' ' GLY . 2.9 mp -148.96 147.59 28.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.424 ' C ' HG13 ' C' ' 36' ' ' VAL . 20.3 mtm -148.64 146.59 28.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.371 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.738 HG12 HG22 ' D' ' 36' ' ' VAL . 33.9 m -153.6 153.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.728 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.49 151.75 23.47 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.94 18.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.2 147.45 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' C' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.595 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ALA . . . . . 0.439 ' O ' ' CD1' ' D' ' 4' ' ' PHE . . . -139.34 -131.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.582 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 46.09 80.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 2' ' ' ALA . 49.0 m-85 -135.62 -172.63 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? 55.2 -164.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -91.4 -143.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.14 179.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 1.1 m 73.07 104.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.687 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.76 146.51 15.82 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 1.061 ' O ' ' O ' ' E' ' 10' ' ' TYR . 1.7 t80 -144.46 145.46 31.9 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.667 ' HA ' ' HA ' ' E' ' 11' ' ' GLU . 11.8 pt-20 -149.43 144.81 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.967 ' O ' ' HB ' ' E' ' 12' ' ' VAL . 4.5 m -119.69 103.32 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.695 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.777 ' CD2' ' H ' ' D' ' 14' ' ' HIS . 6.5 t-160 -51.72 -160.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.714 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.777 ' H ' ' CD2' ' D' ' 13' ' ' HIS . 9.0 p-80 -114.53 150.4 34.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.675 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 176.3 104.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.394 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.56 ' H ' ' NE2' ' E' ' 15' ' ' GLN . 4.9 mmtp 40.67 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.391 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' D' ' 15' ' ' GLN . 0.2 OUTLIER -147.17 144.09 28.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.284 179.693 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.36 148.94 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.612 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 11.6 t80 -152.92 149.82 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.226 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.538 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 176.27 -175.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.092 0.473 . . . . 0.0 111.33 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.42 127.48 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.437 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -101.0 117.45 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.15 112.8 9.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -122.92 -175.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.44 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 90.37 -99.78 2.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 115.41 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.0 159.83 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.492 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.564 ' CD ' ' N ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -108.28 159.37 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.67 102.31 1.19 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.973 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -157.4 -140.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.537 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -144.83 143.88 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -147.24 145.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.71 18.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mp -148.67 147.05 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' E' ' 35' ' ' MET . 11.2 ttt -149.64 146.87 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.738 HG22 HG12 ' C' ' 36' ' ' VAL . 33.4 m -154.04 153.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.69 153.16 24.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.14 19.11 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.93 130.66 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.402 HG21 ' HZ1' ' C' ' 16' ' ' LYS . 45.3 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.98 -7.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.54 101.87 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -103.45 -87.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -89.82 -156.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -72.31 -130.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' E' ' 8' ' ' SER . 5.4 m-20 44.83 88.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 70.9 m -168.65 -73.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' E' ' 10' ' ' TYR . . . -160.58 159.16 30.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 1.061 ' O ' ' O ' ' D' ' 10' ' ' TYR . 2.5 m-85 -158.3 158.46 34.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 0.0 110.981 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.667 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.0 OUTLIER -148.26 143.32 26.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.975 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.967 ' HB ' ' O ' ' D' ' 12' ' ' VAL . 2.5 t -84.81 -126.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.434 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.547 ' O ' ' CB ' ' E' ' 14' ' ' HIS . 0.1 OUTLIER 158.25 -139.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.626 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.547 ' CB ' ' O ' ' E' ' 13' ' ' HIS . 5.4 t-80 84.76 -167.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.592 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.56 ' NE2' ' H ' ' D' ' 16' ' ' LYS . 2.0 mm-40 63.66 -170.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' D' ' 16' ' ' LYS . 30.8 tptt -39.58 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' D' ' 17' ' ' LEU . 5.3 tp -149.72 147.04 27.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' E' ' 13' ' ' HIS . 34.3 m -148.78 147.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 29.3 t80 -151.99 149.26 28.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.282 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' OE1' ' E' ' 11' ' ' GLU . 0.6 OUTLIER -163.91 163.31 23.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.936 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.29 98.41 6.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.321 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -79.96 98.21 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -126.34 119.33 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.637 HG12 ' H ' ' E' ' 25' ' ' GLY . 2.6 t -150.67 172.42 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.637 ' H ' HG12 ' E' ' 24' ' ' VAL . . . 100.92 -83.91 0.53 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -141.11 115.6 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.408 ' H ' ' HE2' ' D' ' 28' ' ' LYS . 7.1 m120 -96.14 -178.57 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.68 144.18 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.24 101.01 2.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -165.66 -114.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.479 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -146.11 145.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -147.46 146.1 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 148.68 20.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.26 148.93 29.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.486 ' O ' HG13 ' E' ' 36' ' ' VAL . 15.5 ptt? -152.88 149.95 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.532 HG22 HG12 ' D' ' 36' ' ' VAL . 21.2 m -157.18 156.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.0 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.05 150.61 22.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.44 128.75 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.604 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' F' ' 4' ' ' PHE . . . 60.65 33.84 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' F' ' 5' ' ' ARG . 25.2 tt0 63.44 1.43 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' F' ' 2' ' ' ALA . 28.0 t80 63.17 -70.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 5' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' F' ' 3' ' ' GLU . 73.4 mtt180 -57.34 172.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -167.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.76 147.99 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.605 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.6 t -143.95 -157.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 152.22 23.87 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -150.31 148.49 28.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 147.24 28.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.52 152.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.695 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.559 ' HB3' ' HD1' ' G' ' 13' ' ' HIS . 28.5 p-80 -176.88 147.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.63 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 0.8 OUTLIER -173.6 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.63 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 37.4 mm-40 -139.2 -178.87 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 56.4 mttp 42.9 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 15' ' ' GLN . 2.2 pp -146.62 144.86 29.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.268 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.96 145.63 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' F' ' 34' ' ' LEU . 3.4 p90 -149.57 147.47 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.833 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 28.9 m-85 -153.37 152.47 31.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.48 100.87 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 178.93 174.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' G' ' 27' ' ' ASN . 22.6 p-10 -102.23 146.78 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' G' ' 24' ' ' VAL . 1.0 OUTLIER -69.03 159.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.86 -95.72 2.12 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -140.16 160.35 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.597 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -85.05 165.81 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.588 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 0.6 OUTLIER -129.97 -171.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.42 89.38 0.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.16 -165.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -146.0 144.16 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.155 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 pt -150.92 149.72 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.728 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 148.96 20.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.797 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -150.37 148.61 29.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' F' ' 36' ' ' VAL . 22.7 ttm -149.62 146.25 27.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.288 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.511 HG11 ' CZ ' ' F' ' 19' ' ' PHE . 19.4 m -151.62 152.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.796 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.96 149.59 21.32 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.98 22.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.67 134.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.582 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.87 179.26 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.7 120.11 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -59.96 -173.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.622 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 5' ' ' ARG . . . . . 0.474 ' H ' ' HE ' ' G' ' 5' ' ' ARG . 0.7 OUTLIER -56.8 108.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.504 ' H ' ' CD2' ' H' ' 6' ' ' HIS . 91.8 m-70 -140.74 -179.02 5.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.2 89.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 31.2 m -105.95 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 0.507 ' C ' ' CG ' ' G' ' 10' ' ' TYR . . . -158.83 156.86 27.9 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.1 OUTLIER -153.73 154.14 33.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.63 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -151.96 149.36 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.418 ' O ' HG23 ' G' ' 12' ' ' VAL . 7.9 m -118.32 108.32 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.559 ' HD1' ' HB3' ' F' ' 13' ' ' HIS . 0.9 OUTLIER -121.45 91.77 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.764 ' ND1' ' N ' ' G' ' 15' ' ' GLN . 42.2 t-80 -128.26 161.24 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.537 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.764 ' N ' ' ND1' ' G' ' 14' ' ' HIS . 9.5 mt-30 -101.66 -158.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 20.2 mmtp 39.0 -104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 145.08 30.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.499 HG12 HG22 ' H' ' 18' ' ' VAL . 3.7 p -152.47 150.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' G' ' 36' ' ' VAL . 0.5 OUTLIER -158.51 156.23 29.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.581 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.833 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 167.45 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 0.0 111.221 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.13 16.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.097 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.02 134.62 40.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' H' ' 23' ' ' ASP . 15.0 t70 -148.92 119.92 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.252 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 3.9 m -84.98 176.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.656 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.65 -123.11 6.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.97 153.14 46.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.529 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.535 ' N ' ' OD2' ' F' ' 23' ' ' ASP . 7.4 t-20 -81.85 160.68 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -175.75 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.49 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 90.29 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.802 ' C ' HD12 ' G' ' 31' ' ' ILE . . . -152.02 -168.05 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.595 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.802 HD12 ' C ' ' G' ' 30' ' ' ALA . 4.6 mp -146.46 145.65 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.214 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.69 146.24 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 147.61 18.16 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.783 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.1 pt? -153.07 150.71 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.543 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -152.65 150.59 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.588 HG12 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -153.06 153.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.689 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 149.99 21.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 148.31 19.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.458 HG12 HG23 ' G' ' 40' ' ' VAL . 67.9 t -106.38 126.75 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.544 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.458 HG23 HG12 ' G' ' 39' ' ' VAL . 87.8 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.87 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.492 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.27 92.93 9.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.25 -97.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -98.49 97.28 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.514 ' C ' ' H ' ' H' ' 8' ' ' SER . 57.1 m80 -148.37 92.89 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.58 35.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 69.8 m -65.08 171.99 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.91 153.92 25.14 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' G' ' 10' ' ' TYR . 74.9 t80 -146.89 145.43 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.686 0.279 . . . . 0.0 110.338 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' I' ' 13' ' ' HIS . 14.4 tt0 -148.5 147.09 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.528 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.19 148.8 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' I' ' 13' ' ' HIS . 36.9 t60 -168.39 132.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.598 ' CG ' HG21 ' H' ' 18' ' ' VAL . 0.0 OUTLIER -160.46 -155.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.779 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' I' ' 15' ' ' GLN . 28.4 mt-30 -132.5 -158.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.559 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 3.7 tttp 26.65 -94.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' H' ' 15' ' ' GLN . 5.3 tt -147.57 145.36 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.402 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' H' ' 14' ' ' HIS . 38.1 t -150.18 147.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.682 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -157.09 155.38 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.714 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER 173.15 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.213 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.37 122.39 39.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.318 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 3.1 mp0 -97.55 111.35 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' G' ' 23' ' ' ASP . 46.5 t0 -135.67 111.82 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.416 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.93 179.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 87.09 -114.16 4.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 67.4 p -142.23 129.84 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' H' ' 28' ' ' LYS . 15.3 t-20 -70.15 -178.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.545 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -138.65 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.7 92.17 0.79 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -150.59 -154.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.65 144.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.208 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.98 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -153.77 150.97 22.75 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.833 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -157.33 156.48 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' H' ' 35' ' ' MET . 4.6 ppp? -149.62 149.08 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.588 ' H ' HG12 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.69 147.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.63 148.77 20.3 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.78 148.14 19.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.98 141.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.532 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -80.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.96 86.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -82.51 46.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -159.01 151.89 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 4.5 p80 -102.15 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p30 179.21 -169.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 68.4 m 59.32 159.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 9' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -166.65 163.59 37.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' J' ' 10' ' ' TYR . 44.4 m-85 -147.58 149.25 32.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.658 0.266 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' J' ' 11' ' ' GLU . 0.9 OUTLIER -146.83 143.7 28.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.851 ' H ' ' N ' ' J' ' 12' ' ' VAL . 14.3 m -115.16 107.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.666 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' H' ' 13' ' ' HIS . 9.7 m170 -40.28 -102.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' I' ' 15' ' ' GLN . 7.8 p80 178.19 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.597 ' O ' ' C ' ' I' ' 16' ' ' LYS . 0.8 OUTLIER 85.58 169.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' I' ' 15' ' ' GLN . 8.1 mmtp -20.58 -84.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.507 HD12 ' O ' ' J' ' 17' ' ' LEU . 66.4 tp -146.37 144.02 29.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.242 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -147.65 146.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 13.0 t80 -152.6 149.29 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.714 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 10.5 p90 175.11 -173.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.164 0.507 . . . . 0.0 111.373 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.47 126.33 47.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.64 117.94 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.692 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 9.6 t0 -142.06 113.38 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.371 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.435 HG22 HG12 ' J' ' 24' ' ' VAL . 4.0 m -124.78 -173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.17 -98.14 2.34 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -146.81 114.79 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.88 177.76 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -126.46 166.12 17.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.39 97.32 1.8 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.48 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.659 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 49.0 mt -145.1 144.62 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.9 145.2 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.837 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.92 148.55 19.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.837 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.8 mp -150.64 149.39 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.573 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -148.02 146.45 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' H' ' 36' ' ' VAL . 0.0 OUTLIER -148.75 147.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.536 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.4 149.12 20.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 149.75 21.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.13 119.91 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' J' ' 40' ' ' VAL . 87.6 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.608 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.27 34.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.05 41.82 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -140.88 -79.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -46.06 166.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -60.1 -120.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 7' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' I' ' 8' ' ' SER . 12.2 m-20 51.98 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.0 OUTLIER -35.79 159.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.69 73.07 0.58 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' I' ' 10' ' ' TYR . 27.1 t80 -149.24 146.85 27.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -144.56 140.69 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.851 ' N ' ' H ' ' I' ' 12' ' ' VAL . 1.8 t -64.43 -65.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.583 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.675 ' H ' HG23 ' I' ' 12' ' ' VAL . 3.5 t-160 60.84 97.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 18.3 m80 -169.59 -172.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.544 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.556 ' O ' ' C ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER 48.69 170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' J' ' 15' ' ' GLN . 25.7 mmtp 23.91 -117.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.714 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.507 ' O ' HD12 ' I' ' 17' ' ' LEU . 66.6 tp -148.47 145.98 28.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' J' ' 20' ' ' PHE . 83.0 t -150.22 148.58 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 10.2 t80 -155.26 153.24 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.622 ' HB3' ' H ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER 172.58 -171.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 111.172 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.34 111.14 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -88.79 88.7 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.6 115.29 25.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.364 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.435 HG12 HG22 ' I' ' 24' ' ' VAL . 4.1 m -138.76 -176.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.06 -89.88 1.56 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 55.1 p -143.62 117.17 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.59 169.14 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.78 153.85 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 105.73 3.15 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.699 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.03 -120.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.623 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' J' ' 31' ' ' ILE . 19.0 pt -146.74 145.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.26 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.66 146.41 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.449 ' O ' HD22 ' J' ' 34' ' ' LEU . . . -151.13 148.56 19.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.632 HD13 ' H ' ' J' ' 35' ' ' MET . 0.1 OUTLIER -149.94 148.98 29.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.51 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.67 145.54 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.2 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.442 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.44 153.44 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.76 153.58 24.9 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.71 148.87 20.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 m -123.92 147.64 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' I' ' 40' ' ' VAL . 48.2 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' GLU . . . -152.97 95.08 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 52.46 171.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -172.61 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.15 -45.86 11.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -60.46 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -144.96 162.06 37.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER -96.79 22.64 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 10' ' ' TYR . . . -151.01 148.67 20.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.703 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER 161.26 -158.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.111 0.481 . . . . 0.0 110.9 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' H ' ' B' ' 11' ' ' GLU . 10.7 pt-20 -146.35 147.08 30.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.752 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.821 HG21 ' CD2' ' C' ' 14' ' ' HIS . 0.0 OUTLIER -114.72 147.52 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.933 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.674 ' CA ' ' HA ' ' B' ' 14' ' ' HIS . 14.8 p-80 -165.87 130.9 2.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.714 ' ND1' ' CE1' ' B' ' 14' ' ' HIS . 10.8 m80 -157.46 -148.03 0.2 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' N ' ' HA ' ' B' ' 15' ' ' GLN . 57.7 mt-30 -128.55 162.37 27.41 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 1.047 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 10.3 ptpp? -25.02 140.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.432 ' O ' ' CB ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER 155.1 -151.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 179.469 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.04 ' HB ' HG13 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -164.68 166.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.418 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.919 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.6 t80 178.22 -179.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 111.014 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' C' ' 34' ' ' LEU . 54.0 m-85 -172.58 171.62 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.85 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' B' ' 21' ' ' ALA . . . -173.5 -146.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.5 pm0 -160.63 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.614 ' CB ' ' H ' ' B' ' 27' ' ' ASN . 3.6 t0 -47.18 88.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' VAL . 3.9 p -52.46 124.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.5 -52.24 0.71 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -154.18 163.27 40.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.39 104.66 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 11.1 tptp -97.32 -148.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 28' ' ' LYS . . . -65.31 88.73 0.1 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' B' ' 30' ' ' ALA . . . -157.59 135.8 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.422 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 1.382 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 1.5 mm -70.68 -64.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.798 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.376 ' CG2' ' H ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 152.01 -147.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.146 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 1.376 ' H ' ' CG2' ' A' ' 32' ' ' ILE . . . 155.37 -156.98 27.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.049 ' N ' ' HB3' ' B' ' 34' ' ' LEU . 15.6 tp -146.61 145.07 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 1.315 ' CA ' ' O ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -146.21 147.0 31.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.443 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.052 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER 68.02 70.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' B' ' 37' ' ' GLY . . . -139.35 137.71 8.77 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.715 ' HA2' HD22 ' F' ' 34' ' ' LEU . . . 152.84 -149.25 20.82 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.706 ' O ' ' O ' ' B' ' 38' ' ' GLY . 26.4 t -102.4 160.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 15.2 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.673 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 -101.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.49 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -66.02 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 6' ' ' HIS . 67.3 mtp85 -80.21 -116.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 5' ' ' ARG . 4.8 m-70 49.75 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.74 145.2 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.8 OUTLIER -118.55 86.66 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -151.8 149.96 21.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.972 ' O ' ' O ' ' C' ' 10' ' ' TYR . 31.8 m-85 -141.2 141.45 34.06 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.908 ' O ' HG12 ' B' ' 12' ' ' VAL . 18.3 tt0 -64.71 -72.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.106 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 1.069 HG23 ' N ' ' C' ' 12' ' ' VAL . 7.9 p 119.43 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 110.381 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.996 ' C ' ' O ' ' C' ' 14' ' ' HIS . 52.6 t-80 -105.97 160.28 15.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.591 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 1.284 ' N ' ' O ' ' C' ' 14' ' ' HIS . 3.1 t60 175.9 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.424 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.655 ' HB2' ' NE2' ' C' ' 15' ' ' GLN . 29.2 mt-30 -53.51 -145.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.191 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 1.047 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 22.6 tttp -136.86 -34.05 0.75 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.573 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 1.432 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.9 mm? -66.31 -70.87 0.22 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.223 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 1.279 ' CB ' ' HB ' ' C' ' 18' ' ' VAL . 0.7 OUTLIER -141.05 140.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 121.985 -0.447 . . . . 0.0 110.246 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 1.081 ' CE2' ' CE2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -65.88 -77.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.919 ' CD2' ' HB3' ' A' ' 19' ' ' PHE . 1.1 m-85 155.37 -151.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 1.154 ' HA ' ' CE1' ' C' ' 20' ' ' PHE . . . -147.23 117.7 7.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -169.74 123.73 0.77 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 5.2 p-10 -93.78 167.01 11.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.065 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.501 HG21 ' O2P' ' C' ' 101' ' ' 2PO . 2.7 m -73.53 155.23 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 -92.37 0.17 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.523 ' CB ' ' OD2' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -147.43 156.01 42.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.652 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.614 ' H ' ' CB ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -127.52 89.32 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.589 ' H ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.29 98.36 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.067 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.612 ' HA3' HD13 ' C' ' 31' ' ' ILE . . . -126.13 -137.45 4.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 1.027 ' N ' ' O ' ' C' ' 30' ' ' ALA . . . -128.73 -72.4 0.61 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.576 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 1.382 ' HB ' ' CB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -146.51 146.0 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.477 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 1.283 HG23 ' O ' ' B' ' 31' ' ' ILE . 1.9 pp 146.99 -146.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 1.099 ' O ' HD22 ' B' ' 34' ' ' LEU . . . 63.93 72.11 0.74 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.382 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 1.099 HD22 ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER 177.62 -178.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 0.0 111.103 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . 1.315 ' O ' ' CA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER 175.65 -171.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.282 0.563 . . . . 0.0 111.457 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.71 ' N ' ' HG3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -156.17 148.88 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.221 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' A' ' 37' ' ' GLY . . . -138.91 141.1 11.55 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.706 ' O ' ' O ' ' A' ' 39' ' ' VAL . . . -60.26 -77.42 0.18 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.456 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.958 HG22 ' H ' ' C' ' 40' ' ' VAL . 1.4 m -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.964 0.411 . . . . 0.0 110.975 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.625 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.18 -56.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -167.24 138.94 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -61.66 -78.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -91.55 123.57 35.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -83.56 139.1 33.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -164.79 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.184 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 2.1 t 47.45 -114.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.469 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.684 ' N ' ' OG ' ' C' ' 8' ' ' SER . . . 155.44 -153.53 24.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.972 ' O ' ' O ' ' B' ' 10' ' ' TYR . 0.0 OUTLIER -154.4 149.69 27.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 1.029 ' HA ' ' CB ' ' B' ' 12' ' ' VAL . 1.2 pt-20 157.08 -153.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 1.069 ' N ' HG23 ' B' ' 12' ' ' VAL . 78.8 t 99.3 54.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 1.214 ' ND1' ' O ' ' C' ' 13' ' ' HIS . 0.0 OUTLIER 167.92 -0.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.711 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 1.284 ' O ' ' N ' ' B' ' 14' ' ' HIS . 0.5 OUTLIER -7.17 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.891 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 1.132 ' OE1' ' N ' ' B' ' 17' ' ' LEU . 0.0 OUTLIER -64.39 -69.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.337 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.877 ' O ' ' CG1' ' D' ' 18' ' ' VAL . 29.0 ttmt 139.96 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.95 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER -75.69 -67.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.965 -178.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 1.279 ' HB ' ' CB ' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.04 -78.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.744 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 1.029 ' H ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER 69.59 70.88 0.24 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.025 -179.577 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 1.154 ' CE1' ' HA ' ' B' ' 21' ' ' ALA . 5.1 p90 -63.24 -73.76 0.11 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.872 0.367 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 1.022 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . 162.37 -156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' D' ' 22' ' ' GLU . 0.3 OUTLIER 171.91 104.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' C' ' 24' ' ' VAL . 0.7 OUTLIER -88.74 168.24 12.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.524 HG22 ' H ' ' C' ' 26' ' ' SER . 2.1 p -35.54 143.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.604 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.54 -49.97 6.98 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.524 ' H ' HG22 ' C' ' 24' ' ' VAL . 26.5 m -85.6 102.99 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.665 ' ND2' ' N ' ' C' ' 28' ' ' LYS . 1.6 t30 -109.63 168.34 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.665 ' N ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -127.82 89.53 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 -175.65 43.92 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 1.027 ' O ' ' N ' ' B' ' 30' ' ' ALA . . . -72.6 -26.65 61.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 1.171 ' O ' HG23 ' D' ' 31' ' ' ILE . 9.3 tp 150.68 -152.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.993 ' O ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -148.78 143.97 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 1.029 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -149.48 151.1 23.27 Favored Glycine 0 N--CA 1.46 0.281 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.526 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 1.142 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -141.98 137.45 31.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.364 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . 1.043 ' HA ' ' HB2' ' B' ' 35' ' ' MET . 1.3 tmt? -143.94 144.99 31.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.895 ' O ' ' HE3' ' B' ' 35' ' ' MET . 1.8 p 158.06 -154.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 155.76 -156.16 26.82 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 1.15 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -151.41 148.09 18.76 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.205 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.7 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 1.5 t -108.29 119.11 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.287 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.958 ' H ' HG22 ' B' ' 39' ' ' VAL . 41.5 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.57 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.01 -101.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' D' ' 24' ' ' VAL . 65.3 mt-10 -50.81 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -75.73 -51.82 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -153.09 45.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.52 ' N ' ' ND1' ' D' ' 6' ' ' HIS . 0.5 OUTLIER -81.16 -161.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.1 10.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.1 OUTLIER 51.46 -100.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.443 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.814 ' O ' ' HA ' ' C' ' 10' ' ' TYR . . . 63.71 71.36 0.86 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 1.006 ' O ' ' N ' ' C' ' 11' ' ' GLU . 0.0 OUTLIER -63.25 -73.68 0.11 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.933 -179.624 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 1.258 ' CA ' ' O ' ' E' ' 10' ' ' TYR . 23.2 tt0 72.55 69.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.514 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.951 ' H ' ' HA ' ' E' ' 11' ' ' GLU . 0.2 OUTLIER -126.9 167.02 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.784 0.326 . . . . 0.0 110.484 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.957 ' HA ' HG21 ' D' ' 18' ' ' VAL . 49.1 t-80 78.73 156.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' D' ' 13' ' ' HIS . 42.5 t-80 -151.98 -40.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 32.5 tt0 -179.88 76.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.805 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' H ' ' D' ' 17' ' ' LEU . 11.1 mttm 162.88 -104.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.618 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 1.147 ' O ' HG13 ' D' ' 18' ' ' VAL . 1.1 pp -148.32 144.16 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 1.147 HG13 ' O ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 172.71 -173.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 119.918 -0.713 . . . . 0.0 112.208 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 1.108 ' CE1' ' HB3' ' E' ' 21' ' ' ALA . 0.0 OUTLIER 72.76 69.77 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.041 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 1.254 ' CA ' ' HB2' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -146.83 140.06 25.49 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 1.047 ' H ' ' HA ' ' E' ' 21' ' ' ALA . . . 112.41 98.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.692 ' H ' ' CG2' ' E' ' 32' ' ' ILE . 0.1 OUTLIER 75.81 176.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.507 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.919 ' HA ' ' CG ' ' E' ' 22' ' ' GLU . 0.0 OUTLIER -116.85 -154.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.625 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' D' ' 3' ' ' GLU . 0.0 OUTLIER -124.12 61.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.432 ' HA3' HD21 ' E' ' 27' ' ' ASN . . . 147.48 -22.61 1.52 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.698 ' OG ' ' N ' ' E' ' 29' ' ' GLY . 0.0 OUTLIER -157.32 175.79 13.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.745 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.94 ' HB3' ' C ' ' E' ' 31' ' ' ILE . 76.8 m-20 -156.57 -115.7 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 1.333 ' N ' ' H ' ' E' ' 31' ' ' ILE . 20.8 mtpt -179.8 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.542 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 1.155 ' C ' ' HB ' ' E' ' 31' ' ' ILE . . . -34.1 -125.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.262 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 1.265 ' C ' HG12 ' E' ' 31' ' ' ILE . . . -112.92 36.69 3.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 1.171 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.3 tp 53.34 68.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.964 ' CG1' ' H ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER 161.41 -163.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.347 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.964 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 69.67 71.49 0.99 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.536 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 1.245 HD22 ' N ' ' D' ' 35' ' ' MET . 0.1 OUTLIER -143.75 139.55 29.49 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 1.245 ' N ' HD22 ' D' ' 34' ' ' LEU . 1.7 mpt? -152.89 152.13 31.16 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.888 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.7 OUTLIER -172.29 172.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.003 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' C' ' 37' ' ' GLY . . . 63.74 68.2 1.75 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 1.15 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -63.85 -72.37 0.7 Allowed Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.822 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.7 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 0.1 OUTLIER -120.12 152.29 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 110.715 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.487 ' OXT' ' O ' ' C' ' 40' ' ' VAL . 87.2 t . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 1' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' E' ' 1' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.2 38.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -166.18 114.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -171.35 63.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.43 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -139.95 152.31 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' HIS . . . . . 0.476 ' CG ' ' N ' ' E' ' 7' ' ' ASP . 12.1 t-160 -55.39 -102.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 7' ' ' ASP . . . . . 0.476 ' N ' ' CG ' ' E' ' 6' ' ' HIS . 29.2 t70 -57.56 150.4 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 96.0 p -160.06 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.566 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' E' ' 8' ' ' SER . . . 162.45 -163.67 35.2 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 1.258 ' O ' ' CA ' ' D' ' 11' ' ' GLU . 0.6 OUTLIER 168.98 -167.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.073 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.951 ' HA ' ' H ' ' D' ' 12' ' ' VAL . 0.0 OUTLIER -62.27 -67.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.927 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.821 ' HB ' ' O ' ' E' ' 11' ' ' GLU . 8.9 p 127.45 -43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 0.0 110.419 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.77 ' CB ' ' HD1' ' D' ' 13' ' ' HIS . 35.6 m80 -138.38 130.08 27.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' E' ' 14' ' ' HIS . 1.8 t60 -110.66 -11.43 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' E' ' 14' ' ' HIS . 18.4 mm100 -44.94 171.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 54.16 -113.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' E' ' 17' ' ' LEU . 29.6 tp -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.538 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.695 ' O ' ' CD1' ' E' ' 19' ' ' PHE . 1.2 m -149.58 145.92 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 1.136 ' C ' ' CD2' ' E' ' 20' ' ' PHE . 1.0 OUTLIER 159.06 -152.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.709 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 1.136 ' CD2' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 52.5 67.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.026 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 1.254 ' HB2' ' CA ' ' D' ' 20' ' ' PHE . . . -171.51 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.919 ' CG ' ' HA ' ' D' ' 23' ' ' ASP . 1.0 OUTLIER -166.7 -170.45 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.913 -178.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.556 ' O ' ' CD ' ' E' ' 22' ' ' GLU . 3.1 p30 -96.76 -155.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.494 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' E' ' 26' ' ' SER . 28.9 m -74.51 -153.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.372 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.49 43.78 0.34 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.432 ' N ' ' O ' ' E' ' 24' ' ' VAL . 7.5 t -145.61 115.7 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.688 ' HB2' ' HG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -152.08 160.3 43.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.461 ' N ' ' OG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -147.04 97.83 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.819 ' HA3' ' O ' ' D' ' 27' ' ' ASN . . . 174.3 -165.68 37.33 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.808 ' C ' HD12 ' E' ' 31' ' ' ILE . . . -131.97 -10.0 3.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.662 0.268 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 1.333 ' H ' ' N ' ' D' ' 28' ' ' LYS . 3.8 mp -161.94 159.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.432 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.742 ' O ' ' O ' ' D' ' 32' ' ' ILE . 0.9 OUTLIER -151.55 151.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 110.958 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.718 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -146.16 142.24 10.36 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' D' ' 34' ' ' LEU . 0.4 OUTLIER -145.03 145.48 31.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . 1.191 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.4 OUTLIER -143.56 140.9 30.45 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 1.191 HG13 ' O ' ' E' ' 35' ' ' MET . 0.3 OUTLIER 159.86 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 121.153 0.502 . . . . 0.0 110.432 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.77 ' HA2' ' H ' ' D' ' 37' ' ' GLY . . . 160.14 -160.68 31.88 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.379 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' D' ' 39' ' ' VAL . . . -151.23 150.29 22.21 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 40' ' ' VAL . 2.3 m -92.6 114.02 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 39' ' ' VAL . 3.0 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.6 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.76 -125.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -141.9 -10.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 9.4 t80 49.81 83.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -151.59 46.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 m80 53.11 -138.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.53 133.9 56.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.0 m -106.47 136.74 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.79 153.6 24.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' OE2' ' F' ' 22' ' ' GLU . 0.4 OUTLIER -152.78 151.07 30.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.5 148.59 29.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.22 96.09 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 8.3 t-80 -107.51 111.2 23.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 32.4 m-70 -164.16 -173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.424 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 6.7 mt-30 -139.92 -168.55 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 61.9 tttt 63.55 -117.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.1 pp -152.46 149.65 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.184 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 1.039 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.5 p 170.69 -170.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.062 0.458 . . . . 0.0 111.263 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 1.039 ' H ' HG22 ' F' ' 18' ' ' VAL . 1.1 p90 -151.01 151.57 32.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.077 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.91 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 34.1 m-85 -152.73 150.59 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.12 110.41 22.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CD2' ' F' ' 10' ' ' TYR . 1.5 tp10 -82.79 106.94 15.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -141.42 104.34 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' G' ' 25' ' ' GLY . 6.3 m -74.52 145.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.57 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.79 -106.79 3.4 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -155.39 157.82 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -78.01 123.99 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -81.49 -172.7 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.08 89.42 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.1 179.41 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 1.5 mt -147.61 146.17 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.333 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.76 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 2.1 pp -145.04 144.24 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.261 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.889 ' O ' ' HB2' ' F' ' 34' ' ' LEU . . . -158.89 155.96 27.02 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 1.009 ' HB3' ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER 150.03 -150.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . 1.176 ' O ' ' CA ' ' G' ' 35' ' ' MET . 19.4 mtm -154.16 150.55 28.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.256 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.404 HG21 ' CG ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -148.59 150.2 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.731 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . 66.45 71.12 0.96 Allowed Glycine 0 C--O 1.224 -0.485 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 1.091 ' O ' ' HA3' ' G' ' 38' ' ' GLY . . . -146.43 142.05 10.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 1.014 ' HA ' ' H ' ' G' ' 39' ' ' VAL . 2.9 m -128.44 -110.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.913 0.387 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 31' ' ' ILE . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.67 166.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -88.34 -154.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -152.15 160.47 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 59.56 -135.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.51 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.0 OUTLIER -156.81 -144.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 7' ' ' ASP . . . . . 0.51 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 19.4 t70 56.2 103.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.199 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 5.2 m -167.25 149.45 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 0.508 ' C ' ' CD1' ' G' ' 10' ' ' TYR . . . -158.98 157.13 28.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.667 ' CE1' HG11 ' G' ' 24' ' ' VAL . 10.3 m-85 -151.09 150.61 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.74 150.7 30.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' OH ' ' H' ' 10' ' ' TYR . 16.2 m -119.9 144.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' G' ' 14' ' ' HIS . 22.4 t-80 -154.71 155.2 34.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.465 ' N ' ' CG ' ' G' ' 13' ' ' HIS . 0.1 OUTLIER -167.51 -157.15 0.22 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -133.17 -100.81 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' H' ' 16' ' ' LYS . 3.6 tttm -40.45 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -143.38 141.52 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.659 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.59 147.52 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.853 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.2 OUTLIER -158.76 156.84 30.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.91 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 170.75 -169.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' H' ' 34' ' ' LEU . . . -119.44 111.68 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.448 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' G' ' 22' ' ' GLU . 1.0 OUTLIER -93.91 106.8 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.568 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' G' ' 23' ' ' ASP . 0.3 OUTLIER -134.2 121.3 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.461 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.69 ' N ' HG11 ' H' ' 24' ' ' VAL . 32.0 m -90.6 -171.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.443 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 64.44 -86.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -158.7 160.28 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 110.539 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -69.18 170.8 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.85 139.16 35.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.651 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' H' ' 28' ' ' LYS . . . -75.53 83.49 0.89 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -163.28 -134.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.417 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 24.0 mt -142.19 140.74 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 1.011 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 4.8 mp -145.48 144.05 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' F' ' 34' ' ' LEU . . . -145.1 143.02 11.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 1.009 ' O ' ' HB3' ' F' ' 34' ' ' LEU . 0.3 OUTLIER -146.91 145.04 29.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.711 -179.6 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . 1.227 ' O ' ' HB3' ' H' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.45 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.823 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 1.204 HG13 ' O ' ' G' ' 35' ' ' MET . 1.0 OUTLIER 151.99 -149.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.732 ' O ' ' N ' ' F' ' 38' ' ' GLY . . . 64.14 69.6 1.29 Allowed Glycine 0 C--O 1.221 -0.684 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 1.091 ' HA3' ' O ' ' F' ' 38' ' ' GLY . . . 147.17 -142.81 10.62 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 1.014 ' H ' ' HA ' ' F' ' 39' ' ' VAL . 90.9 t -86.3 -82.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.941 0.4 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.72 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.7 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.541 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -167.81 99.59 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' H' ' 4' ' ' PHE . 18.0 p90 -132.63 63.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 5' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' H' ' 5' ' ' ARG . 3.7 mmp_? -71.8 154.46 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.439 ' HD1' ' C ' ' H' ' 6' ' ' HIS . 4.6 t-80 -84.99 -48.3 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.69 136.19 38.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 11.3 m -170.23 120.53 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.26 17.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.469 ' CZ ' HG12 ' H' ' 12' ' ' VAL . 48.2 t80 -147.55 145.88 29.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 110.413 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.64 147.95 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.506 HG22 HG12 ' I' ' 12' ' ' VAL . 3.1 m -130.34 153.16 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.998 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.53 ' C ' ' CG ' ' H' ' 14' ' ' HIS . 16.8 p80 -176.81 128.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.555 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -157.95 -155.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' H' ' 16' ' ' LYS . 8.7 tp60 -125.06 -161.3 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.838 ' HB2' ' O ' ' G' ' 16' ' ' LYS . 12.0 mptt 36.04 -101.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.82 142.39 29.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.951 ' O ' HG21 ' I' ' 18' ' ' VAL . 51.9 t -151.79 148.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.766 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.766 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -159.02 159.21 34.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.718 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' H' ' 19' ' ' PHE . 0.2 OUTLIER 177.62 -177.94 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.138 0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.92 149.7 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.364 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -126.27 115.31 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.478 ' C ' HG22 ' H' ' 24' ' ' VAL . 7.3 t0 -129.97 117.44 20.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.69 HG11 ' N ' ' G' ' 24' ' ' VAL . 0.0 OUTLIER -161.23 94.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.468 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.07 -96.52 0.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 38.0 p -141.52 84.7 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.747 ' H ' ' NZ ' ' H' ' 28' ' ' LYS . 5.6 p30 -161.33 93.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.747 ' NZ ' ' H ' ' H' ' 27' ' ' ASN . 2.4 mptp? -140.56 84.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . 168.21 69.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.581 ' O ' ' HB1' ' G' ' 30' ' ' ALA . . . 175.74 -140.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' I' ' 31' ' ' ILE . 8.0 mt -145.54 144.85 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.111 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 1.011 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 2.9 mt -145.76 144.87 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.356 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.874 ' C ' HD23 ' H' ' 34' ' ' LEU . . . -153.77 150.02 21.61 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.874 HD23 ' C ' ' H' ' 33' ' ' GLY . 0.0 OUTLIER -146.67 147.2 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . 1.227 ' HB3' ' O ' ' G' ' 35' ' ' MET . 0.1 OUTLIER -151.69 149.45 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.359 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 1.16 ' H ' ' CG2' ' G' ' 36' ' ' VAL . 0.4 OUTLIER -171.1 167.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 111.659 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.654 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . 63.62 68.22 1.75 Allowed Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.737 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 1.053 ' O ' ' CA ' ' I' ' 38' ' ' GLY . . . -161.18 158.56 30.24 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 1.152 ' O ' HG12 ' I' ' 39' ' ' VAL . 2.6 t -57.12 -87.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.581 -0.364 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.914 ' N ' HG12 ' H' ' 39' ' ' VAL . 1.8 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 1' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' I' ' 1' ' ' ASP . 11.1 p-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -134.5 74.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' I' ' 2' ' ' ALA . 48.3 mt-10 58.85 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -146.26 -68.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 5' ' ' ARG . . . . . 0.527 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 44.3 ttp180 -153.65 102.28 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.461 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' I' ' 5' ' ' ARG . 29.4 m-70 -145.41 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.35 -96.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 1.8 m 63.8 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 9' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' I' ' 10' ' ' TYR . . . -149.77 146.92 16.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' J' ' 10' ' ' TYR . 32.3 m-85 -145.27 145.15 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.338 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' J' ' 11' ' ' GLU . 7.0 pt-20 -150.31 148.4 28.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.545 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.535 HG22 HG12 ' J' ' 12' ' ' VAL . 3.0 m -137.92 144.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' I' ' 14' ' ' HIS . 27.2 p80 -157.52 163.88 37.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.5 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 3.3 t-160 80.97 -152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' H ' ' H' ' 14' ' ' HIS . 2.2 mt-30 64.74 142.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' J' ' 16' ' ' LYS . 37.0 tttp -81.29 -58.95 2.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 1.172 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.3 pp -149.49 145.83 27.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 1.016 HG22 ' H ' ' I' ' 19' ' ' PHE . 3.7 p 159.99 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 1.016 ' H ' HG22 ' I' ' 18' ' ' VAL . 19.3 t80 -160.16 159.37 31.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER -149.76 149.85 31.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.228 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.13 115.96 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.469 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -103.98 105.26 15.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.668 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -123.98 124.63 43.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.845 HG12 ' H ' ' I' ' 25' ' ' GLY . 21.4 t -148.43 179.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.845 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 95.98 -93.75 1.58 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -146.31 110.53 5.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 6.9 m-20 -90.87 177.18 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.455 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.619 ' HB2' ' HB3' ' J' ' 30' ' ' ALA . 0.0 OUTLIER -83.26 -179.73 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.07 100.71 0.83 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.912 ' N ' ' HB1' ' J' ' 30' ' ' ALA . . . -179.64 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 1.122 ' H ' ' N ' ' J' ' 31' ' ' ILE . 30.7 mt -155.0 153.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-O 120.933 0.397 . . . . 0.0 110.78 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.62 HG23 ' O ' ' H' ' 31' ' ' ILE . 0.1 OUTLIER -151.41 151.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.209 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.984 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -156.59 153.52 24.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.984 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -158.23 157.78 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.447 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' J' ' 35' ' ' MET . 7.2 ttt -176.16 175.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.471 . . . . 0.0 111.234 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 1.028 HG13 ' O ' ' I' ' 35' ' ' MET . 0.0 OUTLIER 163.57 -162.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.574 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' J' ' 37' ' ' GLY . . . 59.94 68.87 1.47 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . 1.305 ' N ' ' O ' ' J' ' 37' ' ' GLY . . . -167.37 164.63 38.05 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 1.26 ' O ' HG12 ' J' ' 39' ' ' VAL . 9.7 p -27.07 -96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.643 0.259 . . . . 0.0 110.367 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 1.111 ' N ' HG13 ' I' ' 39' ' ' VAL . 11.1 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.05 118.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -156.27 0.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.53 -172.6 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 44.71 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -55.22 -74.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.92 109.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.4 OUTLIER -90.86 36.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 9' ' ' GLY . . . . . 0.576 ' HA2' ' H ' ' I' ' 10' ' ' TYR . . . -155.51 155.92 26.61 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' I' ' 10' ' ' TYR . 1.6 t80 -60.3 -70.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.624 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 2.2 tp10 -153.72 154.26 33.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' J' ' 12' ' ' VAL . 26.1 m -131.96 95.43 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.414 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 4.6 m80 -82.19 179.93 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.5 t60 76.06 135.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -141.51 -0.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' I' ' 16' ' ' LYS . 49.2 tttp -71.04 83.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 1.172 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 22.5 mt 60.28 69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' J' ' 19' ' ' PHE . 19.5 m -154.31 150.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' J' ' 18' ' ' VAL . 9.6 m-85 -149.53 149.78 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.307 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' J' ' 12' ' ' VAL . 0.2 OUTLIER -147.62 145.37 28.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.282 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.03 112.03 23.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.32 98.77 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.468 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' CB ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -144.76 154.37 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.887 HG23 ' H ' ' J' ' 26' ' ' SER . 5.0 m -60.42 -177.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.88 -6.37 0.12 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.887 ' H ' HG23 ' J' ' 24' ' ' VAL . 8.7 t -93.85 83.99 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.486 ' CB ' ' OD2' ' J' ' 23' ' ' ASP . 6.5 t-20 -173.93 -142.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.472 ' H ' ' CG ' ' J' ' 27' ' ' ASN . 84.0 mttt -62.99 96.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.443 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.671 ' O ' ' HB ' ' J' ' 32' ' ' ILE . . . -145.47 -167.09 12.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 1.046 ' O ' HG22 ' J' ' 31' ' ' ILE . . . -21.95 136.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.604 0.24 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 1.122 ' N ' ' H ' ' I' ' 31' ' ' ILE . 14.1 tt 59.23 69.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.206 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.671 ' HB ' ' O ' ' J' ' 29' ' ' GLY . 0.3 OUTLIER -162.93 161.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.811 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.525 ' N ' HG23 ' J' ' 32' ' ' ILE . . . -150.72 151.13 23.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.666 ' CB ' ' HA ' ' I' ' 34' ' ' LEU . 0.1 OUTLIER -159.77 156.52 27.74 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.151 0.501 . . . . 0.0 110.22 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . 1.207 ' O ' HG22 ' J' ' 36' ' ' VAL . 0.0 OUTLIER 162.83 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.536 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 1.207 HG22 ' O ' ' J' ' 35' ' ' MET . 1.3 m 75.42 72.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 1.305 ' O ' ' N ' ' I' ' 38' ' ' GLY . . . -143.13 136.58 7.12 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . 0.985 ' O ' ' O ' ' J' ' 39' ' ' VAL . . . 149.04 -148.58 20.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 1.26 HG12 ' O ' ' I' ' 39' ' ' VAL . 0.8 OUTLIER -2.64 -134.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.15 0.475 . . . . 0.0 110.76 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 1.071 ' N ' HG13 ' J' ' 39' ' ' VAL . 89.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.546 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.184 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.199 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.88 -161.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.24 176.18 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.597 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.6 -40.63 4.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' HIS . 18.8 mmt85 -126.67 -113.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.54 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER 55.85 164.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 9' ' ' GLY . 2.9 p30 -162.27 144.44 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.8 OUTLIER -56.22 -7.39 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 7' ' ' ASP . . . -64.59 -65.91 2.75 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.795 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 3.4 p90 -153.24 149.63 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.841 ' H ' ' H ' ' B' ' 11' ' ' GLU . 69.3 mm-40 -155.46 156.6 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.937 ' O ' ' HB ' ' B' ' 12' ' ' VAL . 6.5 t 95.99 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 13.1 p80 -129.44 163.67 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 33.9 m80 -164.2 -118.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.688 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 7.7 pt20 -179.8 161.78 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' B' ' 14' ' ' HIS . 79.0 mttt 58.86 -105.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.541 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.44 144.3 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 19' ' ' PHE . 5.4 p 176.08 -174.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.944 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -159.33 158.12 31.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -157.52 156.36 31.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD21 ' B' ' 34' ' ' LEU . . . -149.94 107.74 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.512 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' B' ' 22' ' ' GLU . 1.4 pt-20 176.57 158.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 1.6 t70 -81.6 139.66 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 3.2 p -76.77 155.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -57.43 4.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -147.68 164.9 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -131.1 104.52 7.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' B' ' 27' ' ' ASN . 8.3 ptpt -142.71 96.31 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.79 -178.25 19.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -69.29 -78.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.2 mt -147.68 146.83 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.29 146.85 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 149.05 20.84 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.84 150.06 29.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.71 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 tpt -149.23 146.59 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.312 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 15.7 m -150.84 150.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.1 149.05 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 150.64 22.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' B' ' 39' ' ' VAL . 3.3 m -123.77 135.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.618 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' VAL . 8.8 p . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.86 -76.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -112.17 158.18 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' B' ' 4' ' ' PHE . 6.6 p90 -136.63 -167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 59.48 154.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -73.43 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.57 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.5 OUTLIER -158.66 135.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.943 ' HA2' ' H ' ' C' ' 9' ' ' GLY . . . -149.27 148.61 20.14 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 1.175 ' O ' ' O ' ' C' ' 10' ' ' TYR . 40.6 m-85 -145.41 143.09 29.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.392 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.911 ' HA ' ' O ' ' C' ' 10' ' ' TYR . 40.5 tt0 -146.62 147.04 30.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 1.01 HG13 ' H ' ' C' ' 12' ' ' VAL . 2.0 m -109.2 160.05 8.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.53 ' H ' ' HA ' ' A' ' 13' ' ' HIS . 2.0 t60 -165.83 147.23 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.688 ' CE1' ' H ' ' A' ' 15' ' ' GLN . 5.6 t60 -168.99 -165.54 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.646 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 5.7 tt0 -131.26 -119.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.433 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' B' ' 15' ' ' GLN . 6.0 mptp? -20.92 -83.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.88 145.91 27.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.208 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.466 HG21 ' ND1' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -151.58 150.99 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -147.19 146.07 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.264 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.948 ' O ' ' HB2' ' C' ' 20' ' ' PHE . 51.1 m-85 -150.21 148.07 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.656 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 22' ' ' GLU . . . -149.57 122.83 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER 171.55 172.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.742 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' C' ' 27' ' ' ASN . 2.2 p30 -110.8 148.39 32.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.482 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.498 HG21 ' O2P' ' C' ' 101' ' ' 2PO . 1.4 m -81.05 166.27 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.18 -88.98 1.37 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' C' ' 26' ' ' SER . 6.3 p -149.71 175.95 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' B' ' 28' ' ' LYS . 1.8 t30 -123.16 151.03 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 36.9 mttt -111.11 -169.98 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.654 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.08 91.63 0.16 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.886 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -148.42 -174.04 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.88 142.8 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.19 144.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.72 151.43 23.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -167.04 166.21 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.075 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptm -153.58 152.36 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' C' ' 36' ' ' VAL . 33.6 m -151.53 150.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.33 151.46 23.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.15 147.39 17.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' A' ' 39' ' ' VAL . 2.7 p -123.42 145.92 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.621 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.415 ' OXT' ' O ' ' A' ' 40' ' ' VAL . 5.6 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' C' ' 2' ' ' ALA . 12.2 p-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' C' ' 1' ' ' ASP . . . 48.75 21.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -136.6 172.35 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -151.77 -151.12 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -80.77 146.59 30.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' B' ' 8' ' ' SER . 78.0 m-70 51.54 91.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.607 ' O ' ' C ' ' C' ' 8' ' ' SER . 0.3 OUTLIER -96.14 -161.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.453 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.5 OUTLIER -21.6 108.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.943 ' H ' ' HA2' ' B' ' 9' ' ' GLY . . . -63.34 -67.55 2.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 1.175 ' O ' ' O ' ' B' ' 10' ' ' TYR . 1.8 m-85 -151.67 149.49 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.728 ' C ' HG23 ' C' ' 12' ' ' VAL . 3.1 pt-20 -156.47 157.82 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.217 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 1.01 ' H ' HG13 ' B' ' 12' ' ' VAL . 3.3 t 88.72 29.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -95.16 77.53 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.494 ' NE2' ' CG2' ' D' ' 18' ' ' VAL . 10.0 p80 -108.3 -146.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' C' ' 16' ' ' LYS . 66.9 mt-30 -150.09 -94.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' C' ' 15' ' ' GLN . 0.3 OUTLIER -33.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.592 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 18' ' ' VAL . 2.1 pp -146.98 144.97 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.36 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 17' ' ' LEU . 41.9 t -155.68 154.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.586 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -161.8 159.89 27.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.948 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER 163.47 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.06 121.55 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.415 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -120.76 136.9 54.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.09 142.28 26.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.646 HG22 ' N ' ' C' ' 25' ' ' GLY . 3.8 p -75.55 166.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.646 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 73.28 -165.73 54.75 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 26' ' ' SER . 13.5 p -101.46 161.21 13.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' B' ' 23' ' ' ASP . 22.7 t-20 -77.52 133.66 38.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' D' ' 26' ' ' SER . 2.0 mmmt -87.94 177.06 7.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.33 92.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.19 -162.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.67 144.69 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' D' ' 32' ' ' ILE . 13.0 mt -148.43 146.98 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.605 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.579 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.72 146.11 15.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.791 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.3 OUTLIER -149.9 149.82 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.693 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -150.33 147.65 27.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.666 HG22 HG12 ' B' ' 36' ' ' VAL . 31.0 m -151.29 150.86 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.74 149.63 21.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.36 148.35 19.47 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 40' ' ' VAL . 11.0 m -116.44 149.57 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 39' ' ' VAL . 21.9 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.63 6.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -94.56 48.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -67.79 -169.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.615 ' N ' ' NE ' ' D' ' 5' ' ' ARG . 4.5 mmp_? -47.65 125.19 8.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.439 ' ND1' ' C ' ' D' ' 6' ' ' HIS . 0.0 OUTLIER -173.43 -169.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -157.42 41.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 15.0 m -51.23 145.97 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.923 ' O ' ' O ' ' C' ' 9' ' ' GLY . . . -153.69 151.0 22.79 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.767 ' HA ' ' HA ' ' C' ' 10' ' ' TYR . 0.8 OUTLIER -144.35 146.8 32.77 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' E' ' 11' ' ' GLU . 37.2 tt0 -147.3 145.53 29.4 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.888 ' H ' ' H ' ' E' ' 12' ' ' VAL . 0.7 OUTLIER -118.29 161.33 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 110.349 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.673 ' CD2' ' N ' ' D' ' 14' ' ' HIS . 43.7 t60 -88.23 170.95 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.673 ' N ' ' CD2' ' D' ' 13' ' ' HIS . 48.0 p-80 -138.59 105.63 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.59 -56.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.58 ' O ' ' CB ' ' E' ' 17' ' ' LEU . 4.5 tttm -120.86 -83.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 1.143 ' HA ' ' O ' ' E' ' 17' ' ' LEU . 2.0 pp -149.86 147.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.494 ' CG2' ' NE2' ' C' ' 14' ' ' HIS . 1.4 p -150.17 149.76 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.883 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 54.8 t80 -152.74 149.82 28.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' E' ' 20' ' ' PHE . 6.1 p90 174.35 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.474 . . . . 0.0 111.249 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.21 124.51 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -113.61 116.25 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.793 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -141.89 129.76 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.149 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' C' ' 24' ' ' VAL . 2.9 m -94.67 -169.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.539 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.551 ' O ' HG13 ' C' ' 24' ' ' VAL . . . 64.81 -169.7 25.59 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.487 ' HB2' ' HZ3' ' C' ' 28' ' ' LYS . 5.0 p -92.51 132.59 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.473 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.42 -179.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.507 ' H ' ' HD3' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -125.67 162.55 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.38 92.59 0.5 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.932 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -153.34 -148.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.546 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mt -145.6 145.11 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.481 ' O ' HG23 ' C' ' 32' ' ' ILE . 5.0 mt -148.57 147.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.426 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -149.04 147.07 17.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.426 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.56 147.91 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.425 ' C ' HG13 ' D' ' 36' ' ' VAL . 25.1 ptm -149.51 147.42 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.4 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.573 ' H ' HG12 ' C' ' 36' ' ' VAL . 32.4 m -153.76 152.93 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.38 153.1 24.58 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.3 147.43 17.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.71 135.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 110.555 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.537 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' E' ' 1' ' ' ASP . 2.7 m-20 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.42 116.66 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' E' ' 4' ' ' PHE . 33.8 tt0 -157.35 154.36 28.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.53 ' CD2' ' O ' ' E' ' 3' ' ' GLU . 68.5 m-85 -153.63 -158.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' E' ' 6' ' ' HIS . 80.4 mtp180 -94.53 -170.11 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 6' ' ' HIS . . . . . 0.606 ' ND1' ' N ' ' E' ' 7' ' ' ASP . 1.4 t-80 59.53 136.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 7' ' ' ASP . . . . . 0.606 ' N ' ' ND1' ' E' ' 6' ' ' HIS . 1.2 m-20 -56.64 -168.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 58.6 m -172.14 -10.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 0.505 ' HA3' ' CE1' ' D' ' 10' ' ' TYR . . . -154.39 153.96 25.18 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.579 ' CB ' ' O ' ' D' ' 10' ' ' TYR . 4.4 m-85 -153.33 152.04 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.671 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.71 ' CA ' HG13 ' D' ' 12' ' ' VAL . 0.9 OUTLIER -147.55 144.39 28.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.19 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.888 ' H ' ' H ' ' D' ' 12' ' ' VAL . 0.4 OUTLIER 67.43 132.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.72 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -111.13 -1.25 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 15.8 t60 -147.44 -136.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.533 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 9.0 pt20 -167.74 124.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 tttt 178.11 90.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 1.143 ' O ' ' HA ' ' D' ' 17' ' ' LEU . 4.1 mt 59.82 70.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.439 HG12 HG12 ' D' ' 18' ' ' VAL . 11.8 m -153.4 149.98 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.364 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.883 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 18.9 m-85 -159.33 157.76 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.61 -170.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.54 100.6 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.529 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CE2' ' E' ' 20' ' ' PHE . 13.7 mt-10 -101.58 90.92 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -134.22 151.67 51.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.87 172.25 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.435 ' H ' HG22 ' D' ' 24' ' ' VAL . . . 72.35 -134.05 20.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -127.63 171.67 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.62 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.0 170.1 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.493 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -124.02 72.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.22 160.97 23.39 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.932 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -84.33 -17.92 37.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.401 HG21 HD13 ' E' ' 31' ' ' ILE . 14.5 pt -149.93 146.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' E' ' 32' ' ' ILE . 5.5 mm -148.38 146.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.325 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.23 148.61 20.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -151.53 149.29 29.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' E' ' 36' ' ' VAL . 1.5 ptt? -151.95 149.96 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.483 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.466 HG22 HG12 ' D' ' 36' ' ' VAL . 20.4 m -156.1 155.36 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.44 153.84 25.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.95 151.6 23.37 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.35 160.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.603 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.93 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' F' ' 25' ' ' GLY . 87.2 tt0 -172.49 150.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.57 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -59.29 170.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 5' ' ' ARG . . . . . 0.453 ' O ' ' ND1' ' F' ' 6' ' ' HIS . 84.5 mtm-85 -117.98 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' F' ' 5' ' ' ARG . 9.9 m80 -139.9 -105.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.0 48.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.173 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 62.1 p -158.1 -56.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.98 -67.22 2.17 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 60.9 m-85 -63.45 -70.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.415 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.799 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 5.5 pt-20 -150.35 147.43 27.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.119 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' GLU . 7.4 p -101.44 129.43 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.711 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 20.7 p80 -168.26 -173.53 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 3.9 m80 -177.05 -6.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.498 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.5 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 20.4 mt-30 63.02 167.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 59.91 -117.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 1.099 ' O ' HG13 ' F' ' 18' ' ' VAL . 2.2 pp -148.81 145.21 27.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.014 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 1.099 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER 164.83 -162.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.059 0.456 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.785 ' HD2' ' H ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -153.7 152.84 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.46 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.851 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 20.6 m-85 -155.46 154.38 31.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 120.08 36.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' G' ' 23' ' ' ASP . 12.0 mp0 -86.34 122.86 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.659 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 25.3 t0 -149.66 102.83 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 4.6 p -50.39 143.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OE1' ' F' ' 3' ' ' GLU . . . 66.09 -164.04 40.74 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 p -96.51 167.03 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -74.89 132.14 41.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' F' ' 30' ' ' ALA . 43.8 mmtt -84.49 -161.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.473 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.19 77.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' F' ' 28' ' ' LYS . . . -151.42 -168.72 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.415 HG21 HD13 ' F' ' 31' ' ' ILE . 10.7 mt -146.06 144.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -149.58 148.16 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.633 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.69 20.15 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.577 ' O ' HD12 ' F' ' 34' ' ' LEU . 0.3 OUTLIER -151.28 148.95 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.578 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -149.61 147.93 28.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 0.5 OUTLIER -147.89 147.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.567 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.21 149.18 20.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.03 157.05 27.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -128.65 140.59 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.635 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.76 -54.73 11.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -103.11 22.11 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 43.21 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -79.68 107.25 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -78.13 -100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.8 32.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 50.9 m -75.89 172.74 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.79 148.75 20.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' F' ' 10' ' ' TYR . 4.3 p90 -151.28 148.45 28.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.528 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.799 ' H ' ' HA ' ' F' ' 11' ' ' GLU . 9.3 mt-10 -148.34 148.54 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.258 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' H' ' 12' ' ' VAL . 3.6 t -97.21 146.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.591 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -164.67 87.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -108.73 -152.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -135.23 -78.95 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 20.1 mtpp -74.54 -82.0 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -146.63 145.07 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.444 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.64 146.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.73 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -156.48 155.09 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 20.9 p90 168.23 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.96 152.91 37.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.581 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.641 ' HB3' ' H ' ' H' ' 23' ' ' ASP . 26.4 tt0 -118.05 100.58 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.659 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 32.5 t0 -126.42 100.1 6.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.264 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.443 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.6 m -123.76 -169.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.518 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 84.95 -82.94 1.65 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.8 m -154.82 107.46 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -83.54 119.47 24.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -92.11 -174.67 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.41 100.81 0.56 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -152.37 -164.98 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 mt -145.69 144.88 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.197 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.33 145.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.77 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.897 ' N ' HD23 ' G' ' 34' ' ' LEU . 1.1 pt? -155.08 153.26 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.758 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mtm -148.79 148.25 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.316 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.469 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.02 147.07 17.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.21 148.21 19.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.25 142.21 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 110.529 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.512 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 -48.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.52 140.55 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -156.15 -27.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -85.3 95.84 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 0.0 OUTLIER -61.68 -9.04 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.625 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -50.31 -32.67 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 3.5 m -52.9 149.2 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' H' ' 10' ' ' TYR . . . -153.55 151.87 23.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 0.1 OUTLIER -151.96 152.07 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.759 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 0.551 ' OE1' ' ND1' ' H' ' 13' ' ' HIS . 4.8 tm-20 -156.46 153.68 29.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.639 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' G' ' 12' ' ' VAL . 1.5 m -112.36 119.72 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.629 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.551 ' ND1' ' OE1' ' H' ' 11' ' ' GLU . 1.0 OUTLIER -68.31 -140.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' CD2' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -134.73 151.89 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.68 ' H ' ' CE1' ' I' ' 14' ' ' HIS . 0.2 OUTLIER 176.12 105.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' I' ' 16' ' ' LYS . 8.7 tttt 31.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.2 pp -145.39 143.24 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.646 HG13 HG23 ' I' ' 18' ' ' VAL . 0.2 OUTLIER -148.22 146.58 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.484 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.9 OUTLIER -156.11 152.87 28.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.741 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.609 ' HB3' ' H ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 168.29 -166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.77 108.89 12.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.272 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -86.55 101.3 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.64 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.641 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 37.7 t0 -124.97 117.04 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.639 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -121.02 -176.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -92.31 1.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -153.79 132.26 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -81.32 178.07 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -132.02 165.78 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 97.08 1.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -157.72 -144.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.545 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 mt -145.86 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.271 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.04 145.51 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.483 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.863 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.27 147.48 17.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.863 HD12 ' C ' ' H' ' 33' ' ' GLY . 6.0 mp -149.2 148.41 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.514 ' C ' HG12 ' H' ' 36' ' ' VAL . 21.1 ttt -149.03 145.98 27.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.187 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.514 HG12 ' C ' ' H' ' 35' ' ' MET . 0.5 OUTLIER -158.49 157.8 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.823 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.483 ' N ' HG23 ' H' ' 36' ' ' VAL . . . -157.15 156.63 27.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.79 148.82 20.38 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.61 145.64 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.553 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 2' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -80.89 148.03 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 3' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' I' ' 2' ' ' ALA . 23.8 mt-10 58.72 152.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.593 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.49 -120.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -138.59 -10.7 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 1.5 m80 -98.98 -167.56 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' CE1' ' J' ' 10' ' ' TYR . 4.6 m-20 -74.6 138.44 42.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.449 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 4.1 t -89.28 25.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.12 70.06 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' J' ' 10' ' ' TYR . 77.0 t80 -142.55 141.8 32.09 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 5.9 pt-20 -152.35 149.05 28.21 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.495 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' J' ' 12' ' ' VAL . 5.9 m -129.34 120.55 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -141.73 97.57 3.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' I' ' 15' ' ' GLN . 60.1 t-80 -108.2 170.41 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.806 ' N ' ' ND1' ' I' ' 14' ' ' HIS . 7.6 tt0 -90.58 -105.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' H' ' 16' ' ' LYS . 6.8 mmtt -34.45 -90.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.764 HD23 ' C ' ' I' ' 17' ' ' LEU . 0.7 OUTLIER -147.66 145.68 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.538 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.646 HG23 HG13 ' H' ' 18' ' ' VAL . 14.7 p -147.33 145.83 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.549 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 3.0 t80 -153.87 150.5 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.334 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.584 ' CD1' ' OE2' ' I' ' 22' ' ' GLU . 0.3 OUTLIER 175.15 -173.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.054 0.454 . . . . 0.0 111.305 179.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.28 124.41 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.584 ' OE2' ' CD1' ' I' ' 20' ' ' PHE . 9.3 mp0 -99.45 103.82 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 56.5 t0 -122.52 115.45 22.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.469 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.639 HG13 ' H ' ' H' ' 24' ' ' VAL . 0.3 OUTLIER -140.8 -163.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.569 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 77.73 -80.9 1.29 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -149.01 109.43 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -84.54 173.04 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -113.61 156.7 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.63 87.73 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.888 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -146.94 -123.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.591 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 31' ' ' ILE . 38.7 mt -145.26 144.03 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.244 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' I' ' 32' ' ' ILE . 2.3 mt -147.04 145.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.827 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.7 148.86 20.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.827 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.7 mp -150.32 149.89 30.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.442 ' C ' HG13 ' I' ' 36' ' ' VAL . 50.5 mtt -150.94 147.71 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.512 HG12 HG22 ' J' ' 36' ' ' VAL . 18.3 m -154.35 154.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.65 152.07 23.73 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.12 149.19 20.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.43 134.41 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.515 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 1' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' J' ' 2' ' ' ALA . 20.2 t0 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 2' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' J' ' 1' ' ' ASP . . . -73.39 -4.67 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.49 78.51 6.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.0 107.87 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 46.59 -102.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 6' ' ' HIS . . . . . 0.484 ' ND1' ' O ' ' J' ' 6' ' ' HIS . 17.1 p80 -175.25 107.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -159.85 -114.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.172 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.7 OUTLIER 72.48 32.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 9' ' ' GLY . . . . . 0.695 ' N ' ' H ' ' I' ' 8' ' ' SER . . . 159.28 -157.54 28.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' I' ' 10' ' ' TYR . 0.2 OUTLIER -157.11 156.25 32.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.688 ' CB ' HG22 ' I' ' 12' ' ' VAL . 0.0 OUTLIER -146.55 143.11 28.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' I' ' 12' ' ' VAL . 0.9 OUTLIER -97.97 -141.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.628 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 0.1 OUTLIER 153.43 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.506 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 1.3 m170 163.03 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.565 ' O ' ' C ' ' J' ' 16' ' ' LYS . 10.2 mp0 60.45 -165.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' J' ' 15' ' ' GLN . 3.5 tmtt? -23.23 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 4.6 tp -152.53 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.47 148.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.511 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 36.2 t80 -151.77 149.11 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.11 160.51 30.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.41 113.85 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.424 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -91.61 103.79 16.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.22 114.77 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.4 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.512 HG13 ' H ' ' I' ' 24' ' ' VAL . 0.5 OUTLIER -148.89 176.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.543 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.502 ' H ' HG12 ' J' ' 24' ' ' VAL . . . 95.85 -93.53 1.57 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -138.57 105.62 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 110.515 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.475 ' HB3' ' HZ2' ' I' ' 28' ' ' LYS . 7.0 m-20 -92.99 175.94 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.534 ' HD2' ' H ' ' J' ' 28' ' ' LYS . 0.1 OUTLIER -99.92 151.31 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.92 104.17 3.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.846 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.49 -111.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.44 146.15 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' J' ' 32' ' ' ILE . 18.5 mm -147.03 145.39 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.222 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 149.31 21.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -149.61 148.06 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.445 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.456 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -151.47 148.52 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.512 HG22 HG12 ' I' ' 36' ' ' VAL . 18.9 m -155.84 155.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.653 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 153.89 25.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.47 149.62 21.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.0 153.54 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.598 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.173 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.172 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.96 31.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 51.5 -155.74 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.05 63.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 6' ' ' HIS . 83.1 mtt180 -149.58 145.74 26.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.723 ' H ' ' CB ' ' A' ' 10' ' ' TYR . 94.3 m-70 57.48 134.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 44.8 43.31 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 1.3 p 168.72 76.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.46 68.61 1.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.723 ' CB ' ' H ' ' A' ' 6' ' ' HIS . 4.7 t80 -157.39 156.55 32.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.32 152.91 30.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.28 133.16 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -158.68 139.95 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.622 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 1.7 t-80 -170.53 -154.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -130.45 -167.63 1.85 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 43.8 mttm 42.62 -105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.62 144.01 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.12 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -148.29 146.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.432 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -151.7 150.54 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.616 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.882 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 41.8 m-85 -155.03 153.74 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 34' ' ' LEU . . . -165.29 114.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.62 173.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.784 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 26' ' ' SER . 2.9 t70 -90.8 125.24 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.454 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.667 ' O ' HG13 ' B' ' 24' ' ' VAL . 2.2 t -103.82 119.84 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.31 -80.41 0.36 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 94.8 p -139.14 115.7 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.607 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -95.47 124.88 39.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -96.87 -165.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.468 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.69 87.4 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -144.67 -175.59 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.476 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 31' ' ' ILE . 47.2 mt -145.81 144.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.188 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -148.97 146.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.17 148.96 20.75 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -149.88 147.87 28.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -148.01 145.59 28.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HG22 ' B' ' 36' ' ' VAL . 16.0 m -149.76 149.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.95 148.27 19.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.68 149.49 21.34 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -115.88 136.15 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.7 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.613 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.486 ' HB3' ' HE2' ' C' ' 6' ' ' HIS . . . -67.44 -73.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -104.15 -178.62 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -52.45 154.81 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -71.52 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -69.9 -170.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.85 159.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 9.3 t -62.61 -25.38 68.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.94 68.98 1.45 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -144.71 142.85 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -149.44 148.23 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.784 0.326 . . . . 0.0 110.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.59 ' CG2' HG12 ' C' ' 12' ' ' VAL . 13.0 m -126.39 137.94 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 176.92 144.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.724 ' CG ' HG21 ' B' ' 18' ' ' VAL . 36.6 m-70 -139.28 -120.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -146.68 -50.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 19.3 mmtm -87.57 -91.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 pp -145.8 144.09 30.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.288 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.724 HG21 ' CG ' ' B' ' 14' ' ' HIS . 42.8 t -153.06 150.37 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.517 ' C ' ' CG ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.89 158.82 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.882 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 171.6 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.171 0.51 . . . . 0.0 111.619 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 117.8 14.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.527 ' OE1' ' ND1' ' A' ' 6' ' ' HIS . 37.0 mm-40 -86.47 138.98 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 111.126 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 12.3 t70 -149.28 104.97 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.12 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 1.054 HG12 ' H ' ' B' ' 25' ' ' GLY . 3.5 t -136.39 -154.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 1.054 ' H ' HG12 ' B' ' 24' ' ' VAL . . . 76.09 -71.73 1.94 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -167.63 98.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -79.72 144.31 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -170.4 2.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 95.73 0.38 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.471 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -147.75 -168.1 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' B' ' 31' ' ' ILE . 13.4 mt -144.41 143.39 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.305 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -145.53 142.88 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.4 152.62 24.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.65 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.5 pt? -160.01 157.93 29.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' B' ' 36' ' ' VAL . 13.5 mtt -150.38 149.36 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.181 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.618 HG22 HG12 ' A' ' 36' ' ' VAL . 24.6 m -151.91 151.12 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.717 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.16 152.51 24.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.11 150.69 22.59 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.81 142.7 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.616 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.33 166.8 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 49.55 59.9 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.41 -95.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.2 4.75 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.573 ' ND1' ' N ' ' C' ' 6' ' ' HIS . 0.3 OUTLIER -77.28 107.23 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.414 ' C ' ' OG ' ' C' ' 8' ' ' SER . 53.0 m-20 -68.48 -42.54 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.1 OUTLIER 63.29 123.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.773 ' H ' ' H ' ' B' ' 8' ' ' SER . . . -150.17 147.11 16.95 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' C' ' 10' ' ' TYR . 0.1 OUTLIER -148.47 147.74 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.634 0.254 . . . . 0.0 110.363 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.18 149.99 30.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.728 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.59 HG12 ' CG2' ' B' ' 12' ' ' VAL . 4.0 m -110.57 141.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.445 ' HD1' ' CE1' ' C' ' 14' ' ' HIS . 0.3 OUTLIER -100.32 -159.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.669 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' C' ' 15' ' ' GLN . 15.1 p-80 -77.73 165.58 24.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.573 ' CB ' ' O ' ' C' ' 14' ' ' HIS . 12.3 tt0 154.84 136.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.525 ' C ' ' O ' ' C' ' 15' ' ' GLN . 12.1 tptt -29.86 -76.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.24 142.96 29.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.124 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 146.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.526 ' CD2' HG21 ' D' ' 36' ' ' VAL . 3.6 t80 -153.35 150.6 29.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 18.5 p90 176.15 -175.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.462 . . . . 0.0 111.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.87 126.76 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.329 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.1 102.08 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.588 ' OD1' ' OG ' ' D' ' 26' ' ' SER . 2.2 t70 -121.82 95.67 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.325 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.63 HG22 ' N ' ' C' ' 25' ' ' GLY . 2.6 p -141.29 166.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.62 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.63 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 113.07 -79.95 0.27 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 38.8 p -156.23 105.97 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -72.46 167.29 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' C' ' 30' ' ' ALA . 0.0 OUTLIER -138.61 162.15 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.72 76.11 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -134.63 -159.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 110.69 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' D' ' 31' ' ' ILE . 12.6 mt -145.44 146.7 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.39 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.883 HD12 ' N ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -146.0 141.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.472 ' HA3' HG13 ' D' ' 32' ' ' ILE . . . -144.68 144.76 13.68 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.878 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -150.62 148.21 28.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.467 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.465 ' SD ' ' C ' ' C' ' 34' ' ' LEU . 3.7 mpp? -146.44 146.76 30.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.977 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.903 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.7 OUTLIER -151.35 148.43 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.41 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -153.76 152.84 24.39 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -149.24 147.81 18.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' C' ' 40' ' ' VAL . 2.8 m -125.52 140.89 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.581 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' D' ' 40' ' ' VAL . 15.8 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.11 -6.06 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' D' ' 3' ' ' GLU . 48.6 mp0 -143.51 -151.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -141.7 -125.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.578 ' O ' ' CG ' ' D' ' 6' ' ' HIS . 0.0 OUTLIER -155.84 93.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.649 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.587 ' H ' ' CD ' ' E' ' 3' ' ' GLU . 27.2 m-70 -164.34 77.33 0.35 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.515 ' O ' ' O3P' ' E' ' 101' ' ' 2PO . 5.9 m-20 56.52 -176.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 1.1 p -133.3 -6.99 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 1.146 ' CA ' ' H ' ' E' ' 9' ' ' GLY . . . 65.59 67.55 1.98 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 1.161 ' O ' ' O ' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -147.81 144.61 28.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.801 ' CA ' ' O ' ' E' ' 10' ' ' TYR . 1.8 pm0 -143.56 143.9 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' E' ' 11' ' ' GLU . 4.3 m -121.19 134.4 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.684 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' D' ' 13' ' ' HIS . 17.9 t-160 -148.76 53.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' D' ' 14' ' ' HIS . 9.2 p80 -75.6 -144.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -150.55 -37.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.655 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' E' ' 16' ' ' LYS . 10.7 mmtm -92.6 -98.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.7 143.88 30.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.213 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.12 147.66 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 0.0 110.633 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 1.6 t80 -152.82 149.76 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.574 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 171.56 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.83 116.98 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -109.11 118.25 36.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.611 ' N ' ' O3P' ' D' ' 101' ' ' 2PO . 6.3 t70 -147.06 138.58 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.726 HG13 ' O ' ' D' ' 24' ' ' VAL . 7.4 p -71.75 111.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' C' ' 24' ' ' VAL . . . 125.96 -146.94 16.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.588 ' OG ' ' OD1' ' C' ' 23' ' ' ASP . 3.7 m -139.63 173.56 11.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.593 ' O ' ' O ' ' D' ' 28' ' ' LYS . 24.9 m120 -57.53 107.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.291 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.637 ' O ' ' O ' ' D' ' 29' ' ' GLY . 59.4 mmtt -51.79 -156.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.456 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.637 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -37.38 170.56 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -22.8 139.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.532 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' C' ' 31' ' ' ILE . 3.8 mt -163.82 161.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.553 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' E' ' 32' ' ' ILE . 3.6 tt 156.4 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 1.037 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 66.23 70.31 1.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.594 -0.603 . . . . 0.0 111.594 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.859 HD12 ' O ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -144.83 141.06 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.918 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.1 tmt? -157.51 156.91 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.903 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 11.6 m -158.42 158.88 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.69 ' O ' ' HA3' ' E' ' 37' ' ' GLY . . . -154.87 152.3 23.86 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -154.08 152.76 24.31 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG12 ' E' ' 39' ' ' VAL . 1.4 m -119.01 164.66 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' C' ' 40' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.57 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' ALA . . . . . 0.415 ' H ' ' HA ' ' D' ' 3' ' ' GLU . . . -84.56 -167.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' D' ' 6' ' ' HIS . 13.8 tt0 69.23 115.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -129.75 -178.99 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -92.21 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.542 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -169.65 59.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t0 52.41 91.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.1 OUTLIER -156.08 165.13 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.416 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 1.146 ' H ' ' CA ' ' D' ' 9' ' ' GLY . . . 64.78 69.98 1.2 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 1.161 ' O ' ' O ' ' D' ' 10' ' ' TYR . 62.0 m-85 -146.21 142.81 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.729 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.3 OUTLIER -145.66 144.97 30.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.412 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' E' ' 13' ' ' HIS . 3.4 t -73.33 -55.76 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 110.75 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.734 ' CE1' HG13 ' E' ' 18' ' ' VAL . 3.9 t-80 83.56 -146.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.464 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.466 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 1.4 t-80 71.77 -145.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.466 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 44.2 mm-40 60.56 -176.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' D' ' 16' ' ' LYS . 0.0 OUTLIER -39.41 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.439 ' H ' ' HB3' ' E' ' 16' ' ' LYS . 60.0 tp -146.35 144.02 29.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.734 HG13 ' CE1' ' E' ' 13' ' ' HIS . 0.7 OUTLIER -148.12 146.01 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.433 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 57.1 t80 -155.68 153.19 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.572 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 175.98 -175.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.135 0.493 . . . . 0.0 111.244 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 107.38 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.53 73.22 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 5.5 t70 -106.14 118.75 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.076 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.634 HG23 ' N ' ' E' ' 25' ' ' GLY . 0.9 OUTLIER -112.6 -172.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.634 ' N ' HG23 ' E' ' 24' ' ' VAL . . . 79.31 -101.51 1.87 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 5.8 t -136.26 175.39 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' OD2' ' D' ' 23' ' ' ASP . 2.7 m-80 -126.8 -173.81 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.644 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -97.3 136.94 37.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -91.8 113.76 4.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 170.16 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.539 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' D' ' 31' ' ' ILE . 59.6 mt -147.96 145.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.895 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' D' ' 32' ' ' ILE . 47.6 mt -145.49 147.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.537 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.713 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -156.19 152.35 23.77 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.859 ' O ' HD12 ' D' ' 34' ' ' LEU . 1.6 mt -153.88 154.47 33.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.682 0.277 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . 1.046 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.0 OUTLIER -150.07 144.85 26.02 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 1.046 HG13 ' O ' ' E' ' 35' ' ' MET . 0.0 OUTLIER 168.08 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.018 0.437 . . . . 0.0 110.754 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.69 ' HA3' ' O ' ' D' ' 37' ' ' GLY . . . 168.26 -166.99 39.91 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.99 155.43 26.29 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' D' ' 39' ' ' VAL . 31.0 m -114.91 141.19 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.547 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.62 -162.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 3' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' F' ' 3' ' ' GLU . 1.2 pm0 -156.66 150.95 25.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' F' ' 3' ' ' GLU . 54.3 m-85 55.85 115.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.57 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.29 -36.45 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -60.11 -168.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 7' ' ' ASP . . . . . 0.503 ' OD2' ' CE1' ' G' ' 6' ' ' HIS . 13.9 t70 -44.47 129.58 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.2 OUTLIER -73.49 105.24 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.519 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 9' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' G' ' 9' ' ' GLY . . . -150.21 148.51 19.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.43 150.06 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -150.89 149.32 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -121.59 158.04 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -174.69 142.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 3.3 t-80 -170.28 -161.15 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' F' ' 17' ' ' LEU . 12.1 pt20 -125.36 -167.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 59.5 mttm 39.27 -93.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.632 HD12 ' O ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -146.53 144.63 29.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.093 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.654 HG12 HG22 ' G' ' 18' ' ' VAL . 0.3 OUTLIER -151.17 148.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 110.506 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD12 ' F' ' 34' ' ' LEU . 0.1 OUTLIER -154.49 153.5 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.526 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.799 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 32.5 m-85 -157.96 157.67 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.606 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -161.84 114.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -178.1 172.62 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 17.5 t70 -98.79 134.18 42.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG13 ' G' ' 24' ' ' VAL . 6.0 t -97.27 132.55 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.9 -85.63 0.4 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -143.73 117.41 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -84.07 133.93 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' F' ' 28' ' ' LYS . 10.3 mptt -93.01 -173.0 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.79 87.61 0.21 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.97 -171.05 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.416 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.2 mt -145.32 144.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.253 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.411 HD13 HG21 ' F' ' 32' ' ' ILE . 1.9 mt -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -152.47 150.55 22.38 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.776 HD12 ' CE1' ' F' ' 19' ' ' PHE . 1.1 pt? -158.53 156.95 31.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttt -150.92 148.97 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.57 HG12 HG22 ' G' ' 36' ' ' VAL . 15.7 m -150.05 149.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.696 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.68 149.76 21.45 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.37 151.86 23.65 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.12 123.09 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.626 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.1 -144.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 54.58 80.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -63.93 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 5' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' G' ' 6' ' ' HIS . 15.4 mmm180 56.53 -177.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.3 OUTLIER -60.8 -132.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 7' ' ' ASP . . . . . 0.585 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 23.5 t0 -160.12 166.37 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.7 OUTLIER 56.61 -127.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' F' ' 9' ' ' GLY . . . 62.69 68.41 1.68 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' G' ' 10' ' ' TYR . 15.6 p90 -152.82 151.16 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -151.56 151.15 31.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.622 ' O ' HG23 ' G' ' 12' ' ' VAL . 5.5 m -125.17 119.31 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.483 ' C ' ' CG ' ' G' ' 14' ' ' HIS . 1.1 p80 -131.61 150.34 52.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.685 ' CE1' HG11 ' G' ' 18' ' ' VAL . 0.5 OUTLIER 168.91 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -130.84 -166.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.591 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 32.3 mmtm 57.2 -109.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.651 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.6 143.06 30.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.685 HG11 ' CE1' ' G' ' 14' ' ' HIS . 90.4 t -150.63 149.19 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.793 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.525 ' CD2' HG11 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -157.95 155.21 29.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.799 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 174.24 -173.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.18 0.514 . . . . 0.0 111.408 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.85 113.55 13.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.036 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -86.56 123.8 32.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 47.4 t0 -138.55 110.49 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.275 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.916 HG12 ' H ' ' G' ' 25' ' ' GLY . 5.8 t -134.77 -178.66 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.552 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.916 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 95.33 -71.66 0.99 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -171.03 110.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.613 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.53 148.23 31.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.49 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -117.47 178.82 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.43 92.59 0.42 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -147.65 -165.56 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.47 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -145.3 144.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.4 144.62 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.315 . . . . 0.0 110.345 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' F' ' 33' ' ' GLY . . . -149.23 147.31 17.59 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.606 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.2 OUTLIER -152.02 150.98 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -148.88 146.09 27.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.196 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.576 HG12 HG22 ' H' ' 36' ' ' VAL . 35.0 m -150.5 150.19 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.23 150.09 21.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.95 148.13 19.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.547 HG12 ' N ' ' G' ' 40' ' ' VAL . 76.7 t -115.14 160.77 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.331 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.547 ' N ' HG12 ' G' ' 39' ' ' VAL . 11.0 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 2' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' H' ' 4' ' ' PHE . . . -79.34 -168.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 3' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' G' ' 25' ' ' GLY . 4.5 mm-40 56.28 5.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.476 ' H ' ' C ' ' H' ' 2' ' ' ALA . 35.4 t80 49.41 -119.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 32.2 ptt85 -177.45 73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.578 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 1.1 t-80 -156.04 -138.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 7' ' ' ASP . . . . . 0.578 ' H ' ' CG ' ' H' ' 6' ' ' HIS . 37.4 t0 -62.96 150.71 41.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 15.9 m -167.18 104.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 0.43 ' H ' ' HB2' ' G' ' 8' ' ' SER . . . -160.9 159.7 31.28 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' CD2' ' I' ' 10' ' ' TYR . 14.3 p90 -157.97 156.24 30.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.803 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.08 149.14 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.616 HG22 HG12 ' I' ' 12' ' ' VAL . 6.2 m -125.12 155.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.731 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -162.75 143.79 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.603 ' H ' ' HB3' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -154.95 -153.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' H' ' 16' ' ' LYS . 65.4 mt-30 -140.29 -113.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' H' ' 15' ' ' GLN . 0.2 OUTLIER -22.89 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.628 HD23 ' H ' ' H' ' 18' ' ' VAL . 0.4 OUTLIER -148.78 145.79 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.418 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.628 ' H ' HD23 ' H' ' 17' ' ' LEU . 17.5 t -152.87 151.17 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.782 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' H' ' 36' ' ' VAL . 0.8 OUTLIER -156.91 155.51 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.518 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.496 ' CD2' ' CE2' ' G' ' 20' ' ' PHE . 0.2 OUTLIER 174.74 -173.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 111.297 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 120.92 21.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.208 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -94.49 102.47 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -119.3 113.76 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.315 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.867 HG22 ' H ' ' H' ' 25' ' ' GLY . 8.5 p -145.7 -179.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.597 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.867 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 97.18 -74.76 0.68 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -161.86 104.82 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -77.25 178.97 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 171.32 14.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.58 91.35 0.86 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -148.53 -153.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.8 mt -144.74 144.45 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.148 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.49 144.57 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.569 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.45 147.25 17.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.818 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -147.38 146.26 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.391 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.5 ttt -147.88 145.55 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.606 HG12 HG22 ' I' ' 36' ' ' VAL . 35.2 m -153.06 152.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.51 149.53 21.3 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 150.4 22.29 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' D' ' 32' ' ' ILE . 94.4 t -119.97 136.77 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.528 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 1' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' I' ' 2' ' ' ALA . 17.2 t0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 2' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' I' ' 1' ' ' ASP . . . -147.12 148.39 31.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' I' ' 4' ' ' PHE . 38.1 mt-10 48.73 80.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' I' ' 3' ' ' GLU . 50.2 m-85 -42.76 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -178.41 65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.553 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' I' ' 7' ' ' ASP . 75.9 m80 -152.86 122.64 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 7' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' I' ' 6' ' ' HIS . 4.8 m-20 58.79 121.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 13.0 t -179.84 99.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 9' ' ' GLY . . . . . 0.561 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -153.07 150.61 22.39 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.561 ' CD2' ' O ' ' I' ' 9' ' ' GLY . 0.2 OUTLIER -148.81 148.29 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -148.81 147.32 28.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.616 HG12 HG22 ' H' ' 12' ' ' VAL . 12.3 m -127.36 122.87 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' J' ' 13' ' ' HIS . 6.8 t-80 -131.66 138.25 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.603 ' HB3' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -176.34 -168.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -132.34 -157.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 17.3 mmtp 49.39 -108.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.664 HD23 ' H ' ' I' ' 18' ' ' VAL . 0.5 OUTLIER -146.75 143.38 28.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.664 ' H ' HD23 ' I' ' 17' ' ' LEU . 0.7 OUTLIER -149.71 149.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.811 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.524 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 32.3 t80 -152.77 149.71 28.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.153 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.8 p90 177.0 -176.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.121 0.486 . . . . 0.0 111.413 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.13 19.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.377 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -100.09 122.03 42.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.709 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -135.22 119.46 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.793 HG12 ' H ' ' I' ' 25' ' ' GLY . 3.5 t -143.71 178.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.793 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 94.52 -90.36 1.31 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -148.59 109.65 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.729 0.299 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -82.19 -172.5 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -136.12 157.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 101.04 1.28 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' J' ' 30' ' ' ALA . . . -159.6 -140.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.627 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.58 145.37 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.222 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.42 145.24 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.236 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.412 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.81 149.4 21.23 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.412 HD12 ' C ' ' I' ' 33' ' ' GLY . 3.1 mp -149.16 147.73 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.518 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' J' ' 35' ' ' MET . 15.7 ptt? -149.6 146.9 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.606 HG22 HG12 ' H' ' 36' ' ' VAL . 33.5 m -153.07 152.8 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.95 153.24 24.65 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.82 18.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.624 ' CG2' HG23 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -95.54 154.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.294 . . . . 0.0 110.599 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.442 ' OXT' ' O ' ' I' ' 39' ' ' VAL . 74.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.13 13.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 3' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' J' ' 4' ' ' PHE . 4.7 tp10 -64.72 -61.74 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' J' ' 3' ' ' GLU . 60.2 m-85 54.25 166.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -91.88 174.47 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 6' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' J' ' 7' ' ' ASP . 2.4 t-80 65.42 151.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 7' ' ' ASP . . . . . 0.613 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.8 m-20 64.44 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 14.2 p 60.22 91.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.5 148.71 20.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -149.04 148.22 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -150.62 149.15 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' J' ' 13' ' ' HIS . 3.0 p -120.71 160.1 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' I' ' 13' ' ' HIS . 62.1 m-70 -161.4 89.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -106.36 -158.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -143.06 -33.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 11.4 mptt -98.61 -87.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.71 HD13 ' H ' ' J' ' 18' ' ' VAL . 0.1 OUTLIER -148.69 145.83 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.71 ' H ' HD13 ' J' ' 17' ' ' LEU . 16.2 m -151.65 150.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 2.9 m-85 -156.04 154.04 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.352 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.6 OUTLIER 174.48 -173.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 111.214 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 113.82 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.316 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -99.12 109.78 22.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -125.31 127.52 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.37 176.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.05 -100.51 2.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -139.72 118.36 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -94.51 174.39 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.616 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.618 ' H ' ' CD ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.73 145.4 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.62 105.91 2.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.999 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -167.48 -121.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 tt -145.73 144.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -148.43 146.87 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.4 148.84 20.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' J' ' 34' ' ' LEU . 6.0 mt -150.4 148.09 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -152.19 149.97 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.502 HG22 HG12 ' I' ' 36' ' ' VAL . 23.1 m -156.41 155.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.99 154.57 25.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.56 21.39 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.8 140.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.548 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.551 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' ALA . 17.2 p-10 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' ASP . . . 54.7 167.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' OE1' ' P ' ' A' ' 101' ' ' 2PO . 37.5 mt-10 -77.64 119.3 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' GLU . 77.8 m-85 -55.01 -167.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 62.04 121.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -44.1 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.95 167.6 21.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 4.0 t -158.92 164.22 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.22 152.93 24.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -149.61 148.14 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.6 149.15 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.32 149.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.658 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -175.86 148.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.671 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 2.8 m80 -176.92 -172.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.438 ' OE1' ' NZ ' ' A' ' 16' ' ' LYS . 18.2 pt20 -114.45 -174.07 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 56.5 mttp 43.28 -100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.46 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.734 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -147.47 146.11 29.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG21 ' CB ' ' A' ' 14' ' ' HIS . 79.0 t -148.91 147.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -148.42 146.96 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.713 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 39.5 m-85 -157.33 155.71 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.803 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.03 101.44 3.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.29 171.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 4.1 p30 -102.07 147.28 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.52 -93.02 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -135.17 156.75 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.652 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -111.84 124.21 51.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -94.05 -167.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 90.9 0.24 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.83 -168.45 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -146.07 144.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 pt -148.97 147.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.525 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.95 147.9 18.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.88 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.41 147.7 28.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.47 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttp -148.95 147.06 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 1.1 m -148.14 147.37 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.55 149.68 21.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.53 152.74 24.32 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.24 128.69 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.575 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.92 175.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 45.5 44.27 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -46.55 -40.56 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' B' ' 6' ' ' HIS . 10.3 ptm180 -164.28 -118.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.695 ' H ' ' HE ' ' B' ' 5' ' ' ARG . 43.5 m-70 54.46 164.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' B' ' 8' ' ' SER . 3.7 m-20 -88.25 159.3 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.173 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.2 m -167.66 140.96 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.519 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -158.17 156.59 27.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.519 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -154.33 154.45 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -152.72 150.31 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.516 ' CG2' ' HE2' ' C' ' 14' ' ' HIS . 10.7 m -116.76 137.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -150.18 107.8 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.697 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 37.7 t-80 -120.08 -173.8 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.697 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 86.5 mt-30 -116.41 -92.81 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.77 ' O ' ' HB2' ' C' ' 16' ' ' LYS . 1.3 mptm? -51.95 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 143.61 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -147.39 145.67 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.583 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -155.32 152.45 29.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.408 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.713 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 171.95 -171.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.166 0.508 . . . . 0.0 111.306 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 115.52 18.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -91.62 134.01 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.4 t70 -151.87 113.46 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.29 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -178.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.628 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.93 -95.71 2.11 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -158.09 120.24 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -77.11 151.09 35.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.58 175.69 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.91 98.84 0.65 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -148.96 -158.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -145.46 144.94 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.172 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -147.35 145.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.39 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.61 152.7 24.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.794 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.8 pt? -161.5 160.56 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.25 149.0 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' C' ' 36' ' ' VAL . 0.1 OUTLIER -147.49 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.49 150.18 22.06 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.79 150.02 21.85 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.82 145.88 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.508 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.94 -64.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -105.27 130.95 53.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -158.4 -46.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -67.91 -165.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -135.83 97.85 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -161.25 -15.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 19.1 p -82.09 142.38 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.69 148.21 19.29 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.475 ' H ' ' HD2' ' D' ' 10' ' ' TYR . 87.4 t80 -147.03 145.07 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.692 0.282 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -152.41 150.9 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.65 139.61 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.514 ' C ' ' ND1' ' C' ' 13' ' ' HIS . 1.9 t-80 -167.93 120.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.489 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.554 ' ND1' ' N ' ' C' ' 14' ' ' HIS . 0.0 OUTLIER -141.5 -158.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.612 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' C' ' 16' ' ' LYS . 74.9 mt-30 -122.85 -166.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.77 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 8.7 mptt 35.33 -99.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.51 144.83 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' C' ' 20' ' ' PHE . 23.7 t -148.5 147.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -155.73 152.71 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' D' ' 20' ' ' PHE . 0.0 OUTLIER 172.12 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 111.227 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.55 121.97 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -95.19 112.95 24.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -139.88 109.71 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.66 178.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.01 -96.63 2.18 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -147.53 141.54 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.621 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -94.54 172.7 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -118.15 168.86 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.63 100.82 2.5 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.53 -140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.597 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mt -145.18 144.66 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.884 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.65 146.58 16.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.884 HD12 ' C ' ' C' ' 33' ' ' GLY . 6.0 mp -149.08 147.45 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' D' ' 35' ' ' MET . 18.0 ttt -147.9 146.11 28.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.564 HG12 ' O ' ' D' ' 36' ' ' VAL . 0.0 OUTLIER -150.17 149.61 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.89 149.44 21.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.06 18.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.83 159.68 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.639 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.595 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' D' ' 3' ' ' GLU . . . -169.7 159.26 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.554 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' D' ' 2' ' ' ALA . 57.3 mm-40 49.27 100.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -155.6 -140.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 51.61 -112.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -175.28 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.566 ' C ' ' H ' ' D' ' 9' ' ' GLY . 5.4 p-10 -103.6 92.37 4.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.706 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.171 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.7 OUTLIER -62.01 5.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.67 ' O ' ' CD2' ' D' ' 10' ' ' TYR . . . 64.84 69.61 1.29 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.773 ' O ' ' CA ' ' E' ' 10' ' ' TYR . 19.2 m-85 -144.26 143.64 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.418 ' HB2' ' HE2' ' D' ' 13' ' ' HIS . 19.1 mt-10 -146.76 144.39 29.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.733 0.302 . . . . 0.0 110.352 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.795 ' HB ' ' H ' ' E' ' 12' ' ' VAL . 12.1 t -114.53 146.0 19.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.803 0.335 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.5 ' CG ' ' C ' ' D' ' 12' ' ' VAL . 0.4 OUTLIER -152.64 171.92 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.515 ' CG ' ' H ' ' D' ' 15' ' ' GLN . 6.0 t-80 -174.08 -172.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.515 ' H ' ' CG ' ' D' ' 14' ' ' HIS . 26.8 tt0 -127.61 -42.36 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.47 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 12.9 mptt -105.89 -85.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.8 144.46 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.46 147.45 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 10.5 t80 -152.73 149.36 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.201 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.758 ' HB2' ' O ' ' C' ' 20' ' ' PHE . 7.7 p90 175.07 -173.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.184 0.516 . . . . 0.0 111.333 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.46 121.69 36.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.308 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' E' ' 11' ' ' GLU . 11.1 mt-10 -95.24 111.87 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -135.99 110.75 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.703 HG12 ' H ' ' D' ' 25' ' ' GLY . 12.1 t -136.28 174.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.703 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 96.53 -85.76 0.87 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -148.82 112.4 5.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -89.48 168.34 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.1 OUTLIER -103.26 164.32 11.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.48 99.65 2.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.56 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.57 -123.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.614 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' D' ' 31' ' ' ILE . 6.1 mt -144.93 144.58 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.417 HD13 HG21 ' D' ' 32' ' ' ILE . 8.0 mt -147.44 145.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.403 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -152.24 149.55 21.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.403 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.91 149.2 30.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.535 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 35' ' ' MET . 7.6 ttt -147.39 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.564 ' O ' HG12 ' C' ' 36' ' ' VAL . 0.5 OUTLIER -149.06 148.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.5 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -151.22 148.83 20.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.82 148.68 20.22 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.492 HG12 HG23 ' D' ' 40' ' ' VAL . 90.5 t -111.79 133.27 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.527 ' O ' HG12 ' D' ' 40' ' ' VAL . 84.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' ALA . . . . . 0.455 ' O ' HG21 ' E' ' 24' ' ' VAL . . . -162.83 15.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' E' ' 3' ' ' GLU . 10.2 mp0 -88.35 21.45 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -89.53 -104.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -146.02 53.65 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -127.62 62.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' E' ' 8' ' ' SER . 2.1 p-10 -92.87 -169.75 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.46 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 2.3 m -39.67 161.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 0.69 ' HA2' ' N ' ' D' ' 8' ' ' SER . . . -59.45 -68.98 1.42 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.773 ' CA ' ' O ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -163.42 163.36 24.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.892 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.679 ' HA ' ' N ' ' D' ' 12' ' ' VAL . 1.1 pm0 -152.21 149.44 28.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.795 ' H ' ' HB ' ' D' ' 12' ' ' VAL . 3.0 t 78.17 123.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -130.15 -55.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.402 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -178.09 116.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.579 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.508 ' N ' ' CD ' ' E' ' 15' ' ' GLN . 3.2 pm0 -165.74 -165.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -67.26 -78.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt -147.44 145.52 29.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.308 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m -148.67 147.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.674 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.631 ' C ' ' CG ' ' E' ' 20' ' ' PHE . 24.9 m-85 -151.34 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.093 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.677 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.91 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.181 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.99 104.58 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.323 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.4 mp0 -111.8 110.38 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -139.31 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' E' ' 26' ' ' SER . 3.7 p -63.08 162.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.571 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -43.07 76.41 0.0 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.765 ' N ' ' O ' ' E' ' 24' ' ' VAL . 8.4 t -95.2 161.59 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -140.08 109.85 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -92.99 -152.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.336 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.561 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -47.05 163.49 0.17 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.513 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -60.98 4.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' E' ' 29' ' ' GLY . 20.2 tt -151.31 147.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.475 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -146.88 146.57 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.273 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.12 153.85 25.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.72 153.03 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.502 ' O ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -150.03 146.66 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.218 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.458 HG22 ' C ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -156.49 156.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -155.25 153.97 25.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.82 150.51 22.41 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.448 ' O ' HG23 ' E' ' 39' ' ' VAL . 6.1 m -119.85 131.58 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.676 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.494 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.93 -179.02 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 3' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' F' ' 4' ' ' PHE . 21.0 mm-40 -62.62 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.541 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' F' ' 3' ' ' GLU . 79.4 m-85 -157.64 -175.73 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 5' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' F' ' 4' ' ' PHE . 26.5 ttm180 58.16 151.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 6' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' F' ' 7' ' ' ASP . 21.5 m80 -81.04 168.53 18.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.652 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 7' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' F' ' 6' ' ' HIS . 4.8 t70 43.26 94.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 1.8 m -76.91 139.6 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.19 153.53 24.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' F' ' 24' ' ' VAL . 53.1 m-85 -150.34 148.51 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' F' ' 11' ' ' GLU . 1.0 OUTLIER -150.39 148.33 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.301 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.499 HG23 ' CE1' ' G' ' 14' ' ' HIS . 30.4 m -128.37 144.63 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' G' ' 13' ' ' HIS . 55.9 p-80 -175.57 -170.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.501 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 1.9 t60 74.09 -177.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.501 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 5.0 mm100 64.04 146.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 42.2 mtmt -71.28 -48.79 48.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 1.052 ' O ' HG13 ' F' ' 18' ' ' VAL . 1.8 pt? -149.51 146.22 27.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.932 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 1.052 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.0 OUTLIER 171.41 -169.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.221 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.778 ' H ' ' HD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -152.11 152.26 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.184 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.779 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 62.9 m-85 -151.21 148.88 28.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.38 128.44 54.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.348 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.628 ' O ' ' O ' ' G' ' 23' ' ' ASP . 41.9 mm-40 -80.8 134.31 35.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -159.78 83.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.7 ' CG2' ' H ' ' G' ' 25' ' ' GLY . 33.3 m -93.14 179.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 -105.08 2.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -147.74 154.78 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.678 0.275 . . . . 0.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.25 125.79 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 1.5 mmtp -94.94 -173.12 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.66 78.45 1.18 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.488 ' HB2' ' H ' ' G' ' 30' ' ' ALA . . . -140.85 -166.02 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -146.2 143.77 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.167 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.489 HG22 ' HB ' ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.09 145.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.553 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.521 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -151.7 148.78 20.2 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.872 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -153.35 152.76 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.022 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -152.46 149.51 28.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.178 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.627 ' N ' ' SD ' ' F' ' 35' ' ' MET . 1.3 m -151.91 152.41 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 71.96 0.81 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 0.607 ' H ' ' HA2' ' G' ' 37' ' ' GLY . . . -62.17 -71.9 0.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' ' O ' ' G' ' 38' ' ' GLY . 7.7 p -112.55 128.91 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.547 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 2' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' G' ' 4' ' ' PHE . . . -157.53 164.54 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -73.57 136.98 44.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' G' ' 2' ' ' ALA . 84.0 m-85 -123.65 2.56 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 5' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' G' ' 5' ' ' ARG . 5.5 mpt_? -84.18 132.52 34.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -79.22 165.33 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 63.71 133.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 44.2 m -166.81 146.04 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.71 153.41 24.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.664 ' CD2' ' CD2' ' H' ' 10' ' ' TYR . 1.3 p90 -154.09 153.07 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.397 . . . . 0.0 110.622 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -150.21 149.84 30.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.38 142.52 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' G' ' 13' ' ' HIS . 42.8 p-80 -177.43 114.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.499 ' CE1' HG23 ' F' ' 12' ' ' VAL . 7.0 m80 -122.16 -139.96 0.32 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.637 ' O ' ' C ' ' G' ' 16' ' ' LYS . 60.1 mt-30 -134.13 -156.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' G' ' 15' ' ' GLN . 3.7 tptm 16.81 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.667 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' G' ' 15' ' ' GLN . 2.1 pp -146.32 144.05 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.232 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 ' ND1' ' G' ' 14' ' ' HIS . 9.9 p -148.67 147.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -156.95 154.68 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.503 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.823 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 27.8 p90 167.56 -165.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.48 . . . . 0.0 111.1 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.56 130.27 52.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 0.0 OUTLIER -96.16 110.23 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' F' ' 22' ' ' GLU . 42.3 t0 -135.28 103.27 5.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.94 177.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.7 ' H ' ' CG2' ' F' ' 24' ' ' VAL . . . 90.44 -100.97 2.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 135.66 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -74.07 -171.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -144.32 171.14 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 97.79 1.04 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -157.46 -152.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.659 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 57.0 mt -144.64 144.04 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.053 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.489 ' HB ' HG22 ' F' ' 32' ' ' ILE . 1.1 mt -148.82 145.94 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' G' ' 34' ' ' LEU . . . -148.16 147.28 17.76 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.488 HD12 ' O ' ' F' ' 33' ' ' GLY . 4.2 mp -146.53 144.39 29.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.458 ' O ' HG23 ' G' ' 36' ' ' VAL . 1.3 tmt? -142.33 141.87 32.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' F' ' 35' ' ' MET . 77.2 t -155.56 152.24 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.607 ' HA2' ' H ' ' F' ' 38' ' ' GLY . . . -155.26 155.49 26.28 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' F' ' 39' ' ' VAL . . . -146.02 144.91 13.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.01 122.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.626 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' G' ' 40' ' ' VAL . 97.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 1' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' H' ' 2' ' ' ALA . 73.2 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 2' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' H' ' 1' ' ' ASP . . . 54.7 167.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.82 118.49 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.71 137.17 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -68.69 -154.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' H' ' 7' ' ' ASP . 9.0 t-80 64.04 114.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 7' ' ' ASP . . . . . 0.76 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 11.5 m-20 56.27 117.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.624 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.193 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 13.4 t -178.08 131.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 0.965 ' HA2' ' H ' ' I' ' 9' ' ' GLY . . . -150.84 150.5 22.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 24.3 m-85 -146.35 144.23 29.63 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.4 pm0 -146.34 145.85 30.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.678 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.492 ' N ' ' HG3' ' I' ' 11' ' ' GLU . 24.9 t -115.47 140.05 38.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.975 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -152.82 176.04 12.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.497 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 1.043 ' CG ' ' H ' ' H' ' 15' ' ' GLN . 31.5 t-80 -177.25 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 1.043 ' H ' ' CG ' ' H' ' 14' ' ' HIS . 41.2 tt0 -132.81 -103.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 2.8 tmtp? -51.2 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' H' ' 14' ' ' HIS . 6.4 tt -145.51 143.89 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.308 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 4.7 p -147.34 145.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.532 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.473 ' C ' ' CG ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -154.99 151.86 28.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.823 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 167.99 -166.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.032 0.444 . . . . 0.0 111.115 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.99 129.12 54.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.84 112.22 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' G' ' 22' ' ' GLU . 46.4 t0 -136.58 101.59 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.681 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.2 OUTLIER -105.21 -174.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' H' ' 24' ' ' VAL . . . 74.97 -99.56 1.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -143.73 158.97 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -110.01 -175.49 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -128.72 165.94 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.8 103.15 2.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.909 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -158.1 -140.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.416 HG21 HD13 ' H' ' 31' ' ' ILE . 12.7 mt -145.09 144.58 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.166 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.93 146.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.511 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.79 ' O ' HD23 ' H' ' 34' ' ' LEU . . . -150.52 148.29 19.32 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.79 HD23 ' O ' ' H' ' 33' ' ' GLY . 5.3 mt -150.11 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.569 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.466 ' C ' ' CG1' ' H' ' 36' ' ' VAL . 1.8 mpt? -149.54 146.66 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.542 HG22 HG22 ' G' ' 36' ' ' VAL . 1.0 OUTLIER -154.23 153.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 152.08 23.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.47 148.67 20.11 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.1 120.83 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.509 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.85 -120.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -124.8 123.06 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' I' ' 4' ' ' PHE . 5.0 m-85 -125.7 141.83 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 57.68 -109.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.76 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 50.8 m80 -63.77 130.08 42.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' I' ' 8' ' ' SER . 1.2 p30 171.26 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.164 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 1.4 m 39.59 81.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.382 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 9' ' ' GLY . . . . . 0.965 ' H ' ' HA2' ' H' ' 9' ' ' GLY . . . -65.21 -70.83 0.99 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 1.073 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.0 OUTLIER -147.42 144.01 28.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 35.4 tt0 -152.04 149.79 29.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.452 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.734 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 66.1 t 106.97 101.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.166 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.453 ' HA ' ' H ' ' J' ' 13' ' ' HIS . 0.8 OUTLIER -143.26 -86.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.873 ' HD1' ' HB3' ' H' ' 14' ' ' HIS . 66.9 t60 56.69 -166.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.833 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 6.3 tp-100 -146.79 -69.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 7.6 mptt -69.69 -80.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.669 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 0.4 OUTLIER -146.0 144.06 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.256 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' J' ' 18' ' ' VAL . 2.2 p -148.96 147.06 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 21.4 t80 -154.44 151.85 29.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.757 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.28 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 129.13 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.246 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.24 120.22 39.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.87 112.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.398 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' H' ' 24' ' ' VAL . 1.1 t -143.13 -146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 68.74 -78.16 0.27 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.7 p -153.64 106.3 2.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.85 161.31 14.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.511 ' O ' ' NZ ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -117.96 164.89 14.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.24 107.9 2.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.909 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -155.12 -137.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -144.78 144.03 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.166 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' I' ' 32' ' ' ILE . 1.5 mt -147.02 145.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.806 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.41 148.54 19.85 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.806 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.5 mp -153.26 151.53 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.83 149.61 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.252 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.539 HG12 HG22 ' J' ' 36' ' ' VAL . 6.8 m -152.34 151.7 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.625 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.39 151.77 23.49 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.66 147.99 18.84 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.25 123.27 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.428 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' J' J ' 2' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' J' ' 4' ' ' PHE . . . -78.11 78.15 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.98 20.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' J' ' 2' ' ' ALA . 41.7 m-85 -85.85 -33.17 21.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 5' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' J' ' 6' ' ' HIS . 3.8 mmp_? -76.88 -154.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 6' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' J' ' 5' ' ' ARG . 59.5 m80 -158.11 -174.03 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 7' ' ' ASP . . . . . 0.634 ' N ' ' OD1' ' J' ' 7' ' ' ASP . 4.0 p-10 -159.11 -172.66 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 2.2 p 19.79 98.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 9' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -60.82 -68.82 1.5 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 1.073 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.3 OUTLIER 164.37 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 110.683 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.984 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 17.1 tp10 164.0 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.984 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 85.4 t -42.02 -88.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.721 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' J' ' 12' ' ' VAL . 1.9 m-70 163.51 -83.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 179.43 -176.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -139.03 -50.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 2.3 tptp -95.75 -80.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.503 ' O ' HD23 ' I' ' 17' ' ' LEU . 5.0 tp -151.14 147.82 27.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' I' ' 18' ' ' VAL . 30.3 m -151.53 151.09 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' I' ' 19' ' ' PHE . 2.0 m-85 -155.26 152.81 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.361 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 0.5 OUTLIER 174.01 -173.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.47 . . . . 0.0 111.119 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 114.19 26.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -111.75 102.13 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.538 ' O ' ' OD2' ' J' ' 7' ' ' ASP . 0.7 OUTLIER -139.06 142.34 38.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.737 ' O ' ' N ' ' J' ' 26' ' ' SER . 2.8 t -34.06 131.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.445 ' HA2' ' H ' ' I' ' 24' ' ' VAL . . . -47.75 74.83 0.0 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.737 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.1 OUTLIER -144.29 101.99 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 110.475 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -83.65 171.76 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 141.06 50.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.92 93.44 1.06 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.571 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -175.7 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 mt -146.56 145.96 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.21 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -147.93 146.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.827 0.346 . . . . 0.0 110.535 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.38 147.83 18.38 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -150.98 149.69 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -148.97 147.13 28.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.539 HG22 HG12 ' I' ' 36' ' ' VAL . 17.3 m -154.76 153.24 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.45 154.81 25.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.95 149.43 21.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.02 141.71 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.428 ' OXT' ' O ' ' I' ' 40' ' ' VAL . 39.6 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.173 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.171 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.193 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.164 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.81 81.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 22.9 tt0 -162.24 122.21 2.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 77.4 m-85 -158.06 -28.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' HIS . 15.3 mmt180 -89.19 -141.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.449 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.9 OUTLIER -54.31 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.434 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.752 ' O ' ' O ' ' A' ' 8' ' ' SER . 27.1 t0 58.59 139.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.193 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER 21.34 -150.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.747 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.835 ' N ' ' OG ' ' A' ' 8' ' ' SER . . . 66.31 69.12 1.43 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CE2' ' CE1' ' B' ' 10' ' ' TYR . 17.7 t80 -139.88 136.76 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -144.24 144.97 31.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.295 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.043 HG21 ' HA ' ' B' ' 12' ' ' VAL . 30.3 m -115.9 68.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.655 ' CG ' ' H ' ' A' ' 14' ' ' HIS . 9.3 t60 36.66 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.113 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.655 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 4.2 p80 -156.04 -165.98 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.757 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 8.0 tp-100 -176.35 158.1 1.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 9.0 mmtm 42.78 30.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.449 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.771 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 151.62 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.588 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.202 ' O ' HG11 ' B' ' 18' ' ' VAL . 12.9 p -171.75 169.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 111.772 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.0 ' CE2' ' O ' ' A' ' 34' ' ' LEU . 29.1 t80 155.58 -155.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 156.25 -151.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.505 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . 146.14 134.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.744 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -144.77 172.74 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.725 ' OD2' ' N ' ' A' ' 27' ' ' ASN . 5.7 t0 -96.58 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.659 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 28.1 m -110.26 48.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.68 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 175.53 -87.21 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' CA ' ' B' ' 25' ' ' GLY . 23.2 t -171.42 95.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.848 ' HA ' ' HB ' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -83.36 139.82 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.297 179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.993 ' HZ1' ' N ' ' C' ' 5' ' ' ARG . 0.5 OUTLIER -133.04 -157.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.963 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.752 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -30.21 114.88 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.161 ' O ' HD12 ' A' ' 31' ' ' ILE . . . 134.38 157.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 1.28 ' HA ' ' N ' ' C' ' 23' ' ' ASP . 1.1 mp -148.66 143.54 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.439 ' H ' ' C ' ' C' ' 22' ' ' GLU . 1.5 pp -160.34 161.82 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' B' ' 21' ' ' ALA . . . -154.37 154.94 25.86 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.719 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.037 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 0.4 OUTLIER -147.67 144.07 28.1 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 1.092 ' HB3' ' CD1' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -158.97 159.49 34.9 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 111.957 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.94 140.78 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.284 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.704 ' O ' ' CA ' ' B' ' 37' ' ' GLY . . . 152.36 -149.15 20.77 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -166.27 163.57 36.96 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.766 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.773 ' HB ' ' H ' ' B' ' 40' ' ' VAL . 84.1 t -83.49 117.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.502 -0.349 . . . . 0.0 110.436 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 2.5 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' B' ' 1' ' ' ASP . . . 171.33 129.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 26' ' ' SER . 13.8 mm-40 -122.19 126.82 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.29 -149.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -159.41 -169.6 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.573 ' O ' ' O ' ' B' ' 7' ' ' ASP . 22.6 m80 53.52 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.671 ' C ' ' H ' ' A' ' 8' ' ' SER . 6.8 m-20 50.37 163.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.6 OUTLIER 171.61 -11.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.441 ' H ' ' HA ' ' A' ' 8' ' ' SER . . . -147.0 143.53 11.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.591 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 12.0 t80 -147.48 144.59 28.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.655 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' CD1' ' B' ' 20' ' ' PHE . 1.7 mt-10 -140.83 143.13 34.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 1.043 ' HA ' HG21 ' A' ' 12' ' ' VAL . 11.5 m -118.01 126.8 75.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.949 ' O ' ' O ' ' B' ' 12' ' ' VAL . 10.3 p-80 -27.32 -179.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.558 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 1.096 ' NE2' HG23 ' B' ' 18' ' ' VAL . 8.6 p80 -154.1 -137.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 17' ' ' LEU . 2.7 mt-30 171.53 171.86 0.09 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.924 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 3.7 mptp? 29.78 37.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.924 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER 151.15 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 1.202 HG11 ' O ' ' A' ' 18' ' ' VAL . 8.9 p -177.15 176.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.682 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 1.581 ' CD1' ' HB2' ' C' ' 19' ' ' PHE . 1.0 OUTLIER 157.66 -156.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.118 -179.273 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 1.234 ' N ' ' HD2' ' B' ' 19' ' ' PHE . 8.6 m-30 146.59 -146.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.808 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 32' ' ' ILE . . . 172.73 -130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 1.5 mm-40 89.29 68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 7.6 t0 -62.77 -143.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 1.153 ' O ' HG11 ' C' ' 24' ' ' VAL . 1.9 p -160.26 158.34 2.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.554 ' CA ' ' O ' ' A' ' 26' ' ' SER . . . -37.72 -19.28 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.653 ' N ' ' O ' ' B' ' 24' ' ' VAL . 35.6 m -98.08 88.83 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.543 ' HB3' HG13 ' C' ' 24' ' ' VAL . 2.4 t-20 -173.51 -156.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.514 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 1.6 mmtt -91.36 160.71 15.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.876 ' H ' ' HB3' ' C' ' 27' ' ' ASN . . . -99.61 78.65 0.49 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.688 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -179.44 -134.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.856 HG22 ' H ' ' C' ' 32' ' ' ILE . 0.8 OUTLIER -140.35 139.66 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 1.2 mt -152.1 147.69 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.329 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 1.277 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -145.08 146.09 16.07 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 1.037 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -147.94 143.72 27.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 117.417 0.609 . . . . 0.0 110.442 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.818 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -146.26 148.03 32.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 0.4 OUTLIER -145.57 140.22 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.704 ' CA ' ' O ' ' A' ' 37' ' ' GLY . . . 153.17 -150.91 22.74 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.594 ' H ' ' HA2' ' A' ' 38' ' ' GLY . . . -156.84 156.11 26.91 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.439 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.824 ' N ' ' O ' ' C' ' 38' ' ' GLY . 26.3 t -103.44 115.81 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.351 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.773 ' H ' ' HB ' ' A' ' 39' ' ' VAL . 10.1 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.88 151.31 33.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.471 ' C ' ' CD1' ' C' ' 4' ' ' PHE . 24.6 mt-10 -147.05 88.17 1.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' C' ' 3' ' ' GLU . 43.7 m-85 -149.76 98.19 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.993 ' N ' ' HZ1' ' A' ' 28' ' ' LYS . 4.4 ttp85 -173.83 176.53 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.671 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.597 ' O ' ' NH1' ' C' ' 5' ' ' ARG . 12.9 p80 -126.57 146.57 50.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' C' ' 10' ' ' TYR . 4.5 t70 41.9 91.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.177 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.1 OUTLIER -120.11 23.92 10.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.579 ' C ' ' CD1' ' C' ' 10' ' ' TYR . . . -144.9 140.68 9.34 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.708 ' HB3' ' CG ' ' E' ' 10' ' ' TYR . 12.4 m-85 -147.7 145.37 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.571 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.795 ' HB2' ' CZ ' ' C' ' 20' ' ' PHE . 0.4 OUTLIER -142.98 144.67 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.198 179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.935 ' CA ' HG21 ' B' ' 12' ' ' VAL . 15.7 m -110.06 116.61 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.923 ' O ' ' O ' ' C' ' 12' ' ' VAL . 0.1 OUTLIER -26.57 174.78 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.522 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 1.239 ' CD2' HG23 ' C' ' 18' ' ' VAL . 0.0 OUTLIER -169.69 -165.59 0.51 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.721 ' O ' ' N ' ' C' ' 17' ' ' LEU . 17.1 mt-30 -152.14 -170.56 3.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.937 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 1.029 ' O ' ' HA ' ' D' ' 16' ' ' LYS . 44.6 mttp 26.44 32.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.974 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 1.061 ' HG ' ' HB3' ' D' ' 17' ' ' LEU . 2.1 mm? 138.09 -137.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 1.239 HG23 ' CD2' ' C' ' 14' ' ' HIS . 3.5 p 143.21 -141.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.22 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 1.581 ' HB2' ' CD1' ' B' ' 19' ' ' PHE . 0.1 OUTLIER 73.16 71.33 0.13 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.606 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 1.338 ' HA ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -67.02 -73.95 0.12 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.57 0.623 . . . . 0.0 110.706 179.01 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.864 ' O ' ' HB3' ' B' ' 21' ' ' ALA . . . 166.93 -138.82 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 1.439 ' C ' ' H ' ' A' ' 32' ' ' ILE . 3.3 mm-40 117.76 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.662 0.268 . . . . 0.0 110.682 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 1.28 ' N ' ' HA ' ' A' ' 31' ' ' ILE . 33.3 t0 -126.16 -133.9 0.25 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.994 0.426 . . . . 0.0 111.533 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 1.153 HG11 ' O ' ' B' ' 24' ' ' VAL . 0.7 OUTLIER -156.43 161.19 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.684 ' HA2' ' O ' ' A' ' 29' ' ' GLY . . . -99.98 86.58 0.68 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -167.19 62.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.876 ' HB3' ' H ' ' B' ' 29' ' ' GLY . 1.0 OUTLIER 170.68 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.542 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.614 ' C ' ' O ' ' B' ' 29' ' ' GLY . 10.3 ptmt -50.67 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.556 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . . . -150.79 93.76 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' D' ' 27' ' ' ASN . . . -172.59 -147.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.781 ' O ' ' CB ' ' D' ' 32' ' ' ILE . 6.2 mt -138.08 138.92 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.577 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.856 ' H ' HG22 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -149.95 146.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 1.249 ' O ' ' HG ' ' D' ' 34' ' ' LEU . . . -151.92 152.2 23.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 1.277 ' HG ' ' O ' ' B' ' 33' ' ' GLY . 1.3 pt? -151.98 148.73 28.09 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . 1.032 ' HG3' ' H ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -148.63 149.62 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.316 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.783 ' N ' ' O ' ' B' ' 35' ' ' MET . 0.5 OUTLIER -146.85 142.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.151 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.61 -145.08 13.58 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 0.937 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . 149.63 -146.55 15.94 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.168 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.779 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 3.5 t -105.35 155.48 6.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.451 ' N ' ' CG1' ' C' ' 39' ' ' VAL . 3.4 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' D' ' 2' ' ' ALA . 36.6 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' D' ' 1' ' ' ASP . . . -46.86 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 59.71 51.04 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.452 ' CE2' ' HB1' ' D' ' 2' ' ' ALA . 41.8 p90 -139.8 -13.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.561 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -108.54 125.81 52.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.502 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.618 ' ND1' ' NH2' ' C' ' 5' ' ' ARG . 7.0 p-80 -43.94 112.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -152.6 34.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 3.0 t 175.26 -156.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.763 ' N ' ' OG ' ' D' ' 8' ' ' SER . . . 65.73 68.21 1.74 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 1.111 ' HB2' ' O ' ' E' ' 9' ' ' GLY . 0.1 OUTLIER -141.2 137.52 32.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.788 ' O ' ' CG1' ' C' ' 12' ' ' VAL . 2.5 mp0 -136.42 139.21 42.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 1.054 HG12 ' O ' ' E' ' 11' ' ' GLU . 2.4 m -105.43 105.74 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 111.876 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.933 ' H ' ' HA ' ' E' ' 12' ' ' VAL . 1.2 t60 32.11 -169.63 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.486 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 1.079 ' ND1' ' N ' ' D' ' 15' ' ' GLN . 0.0 OUTLIER 172.1 166.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 1.444 ' H ' ' CG1' ' D' ' 18' ' ' VAL . 64.3 mt-30 -156.55 -163.54 1.46 Allowed 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 1.105 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 7.8 tttt -2.55 47.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.586 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 1.164 ' O ' ' CA ' ' E' ' 17' ' ' LEU . 0.6 OUTLIER 59.93 66.02 1.04 Allowed 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 1.444 ' CG1' ' H ' ' D' ' 15' ' ' GLN . 1.3 m -63.71 -74.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 1.325 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 167.04 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.909 -177.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 1.408 ' N ' ' H ' ' E' ' 20' ' ' PHE . 34.7 m-85 160.44 -161.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.431 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.982 ' O ' HG22 ' A' ' 31' ' ' ILE . . . 140.82 -78.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.449 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.814 ' HB2' ' O ' ' D' ' 21' ' ' ALA . 0.2 OUTLIER 88.78 179.39 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.854 ' CA ' HD13 ' B' ' 31' ' ' ILE . 6.4 t0 -126.69 158.84 35.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.927 0.394 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.616 HG12 ' N ' ' D' ' 27' ' ' ASN . 1.1 t -64.52 153.72 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.718 ' H ' ' CA ' ' A' ' 29' ' ' GLY . . . -44.78 -52.09 7.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -139.11 68.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.616 ' N ' HG12 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -89.47 157.08 18.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.432 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.581 ' HD2' ' ND2' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -74.37 174.94 8.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . -62.61 89.9 0.06 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.856 ' N ' ' ND2' ' E' ' 27' ' ' ASN . . . -167.58 145.6 4.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.68 HD12 HD21 ' E' ' 27' ' ' ASN . 0.5 OUTLIER -143.23 143.66 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.952 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.781 ' CB ' ' O ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -149.38 145.74 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.197 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.702 ' O ' ' HG ' ' E' ' 34' ' ' LEU . . . -152.65 153.25 24.75 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.459 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 1.249 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 0.4 OUTLIER -149.77 145.77 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 110.444 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.713 ' HG2' ' H ' ' E' ' 36' ' ' VAL . 0.1 OUTLIER -145.25 146.62 31.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 1.032 ' H ' ' HG3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -146.25 141.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.558 ' O ' ' CA ' ' E' ' 37' ' ' GLY . . . 147.44 -145.58 14.4 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . 0.937 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . 145.56 -142.36 10.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.779 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 2.0 m -138.68 129.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 110.435 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' E' ' 4' ' ' PHE . . . -99.28 -92.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.41 22.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' E' ' 2' ' ' ALA . 37.7 m-85 57.46 173.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 5' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' E' ' 6' ' ' HIS . 27.4 mtp85 -113.35 113.99 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 6' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' E' ' 5' ' ' ARG . 67.7 m-70 -160.67 144.13 13.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.04 111.65 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.587 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.6 OUTLIER -94.22 -150.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 1.111 ' O ' ' HB2' ' D' ' 10' ' ' TYR . . . 152.63 -150.76 22.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.925 ' HA ' ' HB2' ' D' ' 10' ' ' TYR . 0.3 OUTLIER -142.52 140.11 31.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 1.054 ' O ' HG12 ' D' ' 12' ' ' VAL . 39.0 mt-10 -143.22 141.91 31.24 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.102 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.933 ' HA ' ' H ' ' D' ' 13' ' ' HIS . 1.2 m -73.1 148.4 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.606 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.807 ' CG ' ' O ' ' E' ' 12' ' ' VAL . 0.3 OUTLIER 146.35 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.015 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.885 ' CG ' ' H ' ' F' ' 38' ' ' GLY . 7.6 m170 154.78 167.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.107 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.938 ' O ' ' N ' ' F' ' 36' ' ' VAL . 0.1 OUTLIER 165.58 137.67 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.94 ' H ' ' CB ' ' D' ' 18' ' ' VAL . 0.1 OUTLIER 168.89 25.59 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 1.353 ' H ' ' CA ' ' D' ' 18' ' ' VAL . 11.8 mt 146.0 -146.43 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 1.319 ' N ' ' HD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -141.48 139.61 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 1.111 ' O ' ' CG ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 71.95 73.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.467 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 1.408 ' H ' ' N ' ' D' ' 20' ' ' PHE . 33.1 m-85 -64.36 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 111.889 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.903 ' O ' ' HB2' ' E' ' 22' ' ' GLU . . . 155.56 -87.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.668 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.984 ' H ' HG21 ' G' ' 39' ' ' VAL . 0.0 OUTLIER 98.84 -177.87 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.976 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' E' ' 24' ' ' VAL . 9.6 t0 -140.01 154.76 47.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.839 HG13 ' N ' ' E' ' 25' ' ' GLY . 0.3 OUTLIER -85.7 -170.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.298 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.839 ' N ' HG13 ' E' ' 24' ' ' VAL . . . -36.09 -48.14 1.08 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.1 p -174.38 108.84 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.856 ' ND2' ' N ' ' D' ' 30' ' ' ALA . 54.1 t-20 -116.43 87.67 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -112.84 46.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . 177.25 37.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.707 ' O ' ' ND2' ' E' ' 27' ' ' ASN . . . 170.04 108.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.385 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.47 HD12 HD13 ' D' ' 31' ' ' ILE . 2.6 tp -143.73 144.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.21 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.593 HG13 ' O ' ' D' ' 31' ' ' ILE . 0.9 OUTLIER -149.41 144.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.57 161.7 32.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.874 ' HG ' ' HA ' ' D' ' 34' ' ' LEU . 1.2 pp -159.27 156.98 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.178 0.513 . . . . 0.0 111.125 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.694 ' N ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -142.73 142.2 31.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.689 179.202 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.713 ' H ' ' HG2' ' D' ' 35' ' ' MET . 1.4 t -145.07 143.39 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.105 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.558 ' CA ' ' O ' ' D' ' 37' ' ' GLY . . . 143.91 -142.43 11.16 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 38' ' ' GLY . . . . . 0.486 ' O ' ' CA ' ' D' ' 38' ' ' GLY . . . 147.82 -146.33 15.89 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.264 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.593 HG11 ' O ' ' H' ' 33' ' ' GLY . 0.8 OUTLIER -148.49 155.13 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.742 0.306 . . . . 0.0 110.2 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.644 HG22 ' O ' ' E' ' 40' ' ' VAL . 5.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.24 -71.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.46 150.65 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' F' ' 4' ' ' PHE . 0.7 OUTLIER -91.13 -56.62 3.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 5' ' ' ARG . . . . . 0.494 ' NH2' ' OE1' ' F' ' 22' ' ' GLU . 60.2 mtp180 -54.82 179.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 6' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' F' ' 6' ' ' HIS . 2.3 p-80 -170.75 142.59 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -152.18 10.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.509 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.2 m -44.3 -44.94 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 9' ' ' GLY . . . . . 0.877 ' O ' ' HB2' ' F' ' 10' ' ' TYR . . . -149.16 149.67 21.69 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' G' ' 10' ' ' TYR . 35.6 t80 142.26 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CG ' ' F' ' 10' ' ' TYR . 85.9 mt-10 -144.28 140.68 29.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.755 ' H ' ' H ' ' G' ' 12' ' ' VAL . 18.2 t -113.48 100.23 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.57 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -150.74 174.15 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.747 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -176.94 -130.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' F' ' 17' ' ' LEU . 36.5 mm-40 -131.19 170.39 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 48.8 mttm 42.39 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.502 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -143.49 141.63 30.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.855 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 1.092 ' N ' HG11 ' G' ' 18' ' ' VAL . 1.6 p -149.29 146.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -152.62 152.69 32.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.26 147.34 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.231 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -171.5 127.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.542 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 50.7 tt0 173.29 162.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' F' ' 22' ' ' GLU . 9.4 t70 -78.13 123.55 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' G' ' 23' ' ' ASP . 0.5 OUTLIER -101.55 108.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.31 -75.49 0.35 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.483 ' O ' ' OD2' ' F' ' 23' ' ' ASP . 68.7 m -148.77 118.71 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -90.56 147.2 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.04 -168.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.88 95.21 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -155.95 -175.28 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.449 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.46 142.41 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -151.71 150.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.031 0.444 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.89 143.48 11.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.902 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -145.05 142.58 29.86 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.718 -0.283 . . . . 0.0 110.32 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.819 ' HG3' ' C ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.33 156.36 30.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 111.422 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.938 ' N ' ' O ' ' E' ' 15' ' ' GLN . 1.6 m -148.39 147.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.019 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' G' ' 37' ' ' GLY . . . 148.03 -145.98 15.12 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 1.105 ' HA3' ' O ' ' G' ' 38' ' ' GLY . . . 155.47 -154.07 25.25 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' E' ' 20' ' ' PHE . 8.4 m -137.2 159.1 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.804 ' N ' ' OH ' ' D' ' 10' ' ' TYR . 2.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.589 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.42 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -45.01 127.34 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.75 -51.53 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 5' ' ' ARG . . . . . 0.43 ' C ' ' CG ' ' G' ' 6' ' ' HIS . 12.3 mmm180 -72.71 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.43 ' CG ' ' C ' ' G' ' 5' ' ' ARG . 2.5 p80 173.59 97.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -143.9 -70.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 1.4 m 56.65 30.23 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -61.6 -70.99 0.87 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.0 OUTLIER -171.99 173.1 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 111.22 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' H' ' 11' ' ' GLU . 2.1 pt-20 -151.84 150.88 30.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.456 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.822 ' O ' ' HA ' ' H' ' 12' ' ' VAL . 2.7 t 75.03 110.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.617 ' O ' ' NE2' ' G' ' 15' ' ' GLN . 1.5 t60 -136.4 -113.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' G' ' 15' ' ' GLN . 31.0 t-80 -74.62 155.44 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.617 ' NE2' ' O ' ' G' ' 13' ' ' HIS . 0.5 OUTLIER 156.96 140.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.498 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 5.8 tptp -62.42 -66.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.608 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 1.185 ' O ' HG13 ' G' ' 18' ' ' VAL . 2.1 pp -150.66 147.04 26.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.211 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 1.185 HG13 ' O ' ' G' ' 17' ' ' LEU . 0.2 OUTLIER 163.62 -160.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.985 0.421 . . . . 0.0 111.038 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.775 ' C ' ' CD2' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -154.93 154.81 33.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.938 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 1.02 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -147.69 143.8 27.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -165.48 139.72 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.548 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.542 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.1 OUTLIER 173.98 142.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.716 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.561 ' CG ' HD22 ' H' ' 27' ' ' ASN . 1.6 m-20 -81.34 139.18 35.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.744 HG21 ' O1P' ' H' ' 101' ' ' 2PO . 5.1 m -94.07 95.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' F' ' 24' ' ' VAL . . . 146.12 -84.11 0.19 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 26' ' ' SER . . . . . 0.561 ' O ' ' O ' ' H' ' 25' ' ' GLY . 73.0 m -146.43 178.2 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' OD2' ' F' ' 23' ' ' ASP . 16.1 p-10 -146.72 169.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -110.6 178.6 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.482 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 102.81 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.801 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -153.03 -156.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' H' ' 32' ' ' ILE . 69.7 mt -144.13 142.86 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.852 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 10.0 mt -145.46 144.06 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.549 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 1.084 ' C ' HD13 ' G' ' 34' ' ' LEU . . . -148.88 144.66 12.44 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 1.084 HD13 ' C ' ' G' ' 33' ' ' GLY . 0.0 OUTLIER -148.46 149.32 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.754 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.756 ' SD ' ' HG ' ' E' ' 17' ' ' LEU . 5.6 mtt -152.81 149.66 28.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.971 ' HA ' ' O ' ' H' ' 36' ' ' VAL . 25.4 m -155.5 155.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.474 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 66.94 72.13 0.82 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 1.105 ' O ' ' HA3' ' F' ' 38' ' ' GLY . . . -64.93 -74.17 0.51 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.734 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.984 HG21 ' H ' ' E' ' 22' ' ' GLU . 0.3 OUTLIER -149.84 138.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.66 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.556 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.95 -173.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 3' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' H' ' 5' ' ' ARG . 33.8 mt-10 -84.26 150.19 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.22 45.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 5' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' H' ' 6' ' ' HIS . 48.1 mtp85 55.45 95.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' H' ' 5' ' ' ARG . 60.0 m80 -158.85 170.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.26 -179.54 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 33.5 t -64.85 -75.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . 64.28 70.71 1.0 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' OG ' ' H' ' 8' ' ' SER . 0.5 OUTLIER -158.02 155.86 30.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 110.894 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' G' ' 11' ' ' GLU . 13.8 tt0 -148.73 149.78 32.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.822 ' HA ' ' O ' ' G' ' 12' ' ' VAL . 5.4 m -125.06 167.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' G' ' 13' ' ' HIS . 1.9 t60 -169.98 163.54 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.766 ' CG ' ' N ' ' H' ' 15' ' ' GLN . 0.5 OUTLIER -165.05 -164.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.678 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.766 ' N ' ' CG ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -134.39 -81.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.576 ' C ' ' HE2' ' H' ' 14' ' ' HIS . 22.1 mttp -59.53 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -143.81 142.5 30.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' CG ' ' H' ' 14' ' ' HIS . 1.0 OUTLIER -151.23 148.04 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.612 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.9 OUTLIER -157.49 156.83 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 1.108 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 47.9 p90 168.71 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.92 138.6 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -131.65 124.33 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.762 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 3.2 p30 -140.03 146.77 39.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.643 HG11 ' C ' ' I' ' 25' ' ' GLY . 2.8 p -34.29 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.565 ' N ' HG22 ' H' ' 24' ' ' VAL . . . -48.46 -5.94 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.599 ' H ' ' C ' ' H' ' 24' ' ' VAL . 4.7 t -87.75 110.73 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.606 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.561 HD22 ' CG ' ' G' ' 23' ' ' ASP . 11.1 t-20 -98.04 -178.38 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -108.46 143.58 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 85.8 1.12 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 1.032 ' HB3' ' O ' ' I' ' 30' ' ' ALA . . . -167.33 -118.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.583 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -146.44 144.96 20.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 1.4 mt -146.88 145.4 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.854 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.0 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.854 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.7 mp -147.58 145.47 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.346 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.819 ' HB2' HD11 ' E' ' 17' ' ' LEU . 8.3 ptt? -144.97 143.22 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.003 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.971 ' O ' ' HA ' ' G' ' 36' ' ' VAL . 1.4 t -164.78 163.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 111.228 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' I' ' 37' ' ' GLY . . . 155.18 -156.54 27.01 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 38' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' I' ' 38' ' ' GLY . . . -148.36 145.01 13.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.944 ' H ' ' HA ' ' I' ' 39' ' ' VAL . 16.4 t -114.61 122.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.46 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.603 ' H ' HG22 ' G' ' 39' ' ' VAL . 2.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.554 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 1' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' H' ' 5' ' ' ARG . 31.6 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.17 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.65 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -137.1 -63.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' I' ' 5' ' ' ARG . 57.5 t80 58.49 177.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 5' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' I' ' 4' ' ' PHE . 22.9 ttt180 70.63 146.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -84.35 -143.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 7' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' I' ' 8' ' ' SER . 81.0 m-20 55.08 -113.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 7.6 t 58.04 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 143.03 11.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.907 ' O ' ' C ' ' J' ' 10' ' ' TYR . 6.2 t80 -147.58 146.66 29.48 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.693 ' N ' ' CD1' ' I' ' 10' ' ' TYR . 65.8 mt-10 -148.72 145.83 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' J' ' 12' ' ' VAL . 74.8 t -111.37 115.25 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.363 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' H' ' 11' ' ' GLU . 2.2 m-70 -94.43 163.73 13.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.52 ' CD2' ' CG1' ' J' ' 18' ' ' VAL . 18.2 p-80 -166.41 -178.05 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.553 ' HB3' HE21 ' H' ' 15' ' ' GLN . 9.3 tt0 -143.25 -53.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -99.96 -75.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 tp -145.75 143.64 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.7 145.8 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.691 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 15.4 t80 -157.54 155.56 30.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 1.108 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 160.4 -158.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 179.651 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.81 124.74 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -107.13 96.57 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.762 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 38.0 t70 -115.64 124.03 49.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.221 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.518 ' O ' ' CA ' ' J' ' 25' ' ' GLY . 2.2 t -136.44 165.98 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.695 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.643 ' C ' HG11 ' H' ' 24' ' ' VAL . . . 104.79 -59.74 0.44 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.478 ' O ' ' O ' ' J' ' 25' ' ' GLY . 0.2 OUTLIER -169.89 141.47 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.576 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 2.2 m120 -117.63 158.64 24.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 162.08 17.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.31 105.59 1.68 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 1.032 ' O ' ' HB3' ' H' ' 30' ' ' ALA . . . -156.9 -145.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG23 ' J' ' 31' ' ' ILE . 84.5 mt -145.24 146.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.086 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.404 HG21 HD13 ' I' ' 32' ' ' ILE . 4.1 mt -147.07 144.84 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.955 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -152.07 149.67 21.4 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.955 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -157.19 156.0 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 111.159 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.637 ' SD ' ' SD ' ' E' ' 35' ' ' MET . 1.7 ttt -148.68 146.2 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.622 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.885 ' H ' ' CG2' ' H' ' 36' ' ' VAL . 0.5 OUTLIER -155.04 155.98 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 111.386 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' H' ' 37' ' ' GLY . . . 63.5 69.93 1.19 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 38' ' ' GLY . . . . . 0.533 ' O ' ' HA2' ' H' ' 38' ' ' GLY . . . -62.3 -73.05 0.56 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.751 -0.539 . . . . 0.0 111.751 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.944 ' HA ' ' H ' ' H' ' 39' ' ' VAL . 0.7 OUTLIER -128.53 161.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.648 ' HA ' ' H ' ' J' ' 40' ' ' VAL . 32.2 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.23 52.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.658 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 3' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' J' ' 5' ' ' ARG . 4.9 mm-40 -104.66 30.78 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -42.74 97.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 5' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' J' ' 3' ' ' GLU . 79.3 mtt85 49.52 -177.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.05 178.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 7' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' J' ' 8' ' ' SER . 7.5 p-10 -141.69 -114.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.3 OUTLIER -36.56 108.73 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 9' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -58.76 -68.27 1.77 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.907 ' C ' ' O ' ' I' ' 10' ' ' TYR . 3.6 m-85 -161.18 161.9 31.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.2 pm0 -154.65 152.03 29.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' I' ' 12' ' ' VAL . 14.7 t 77.1 134.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.58 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.9 t60 -113.03 -73.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.466 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.3 t60 155.13 124.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.568 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -172.57 -135.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -50.6 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -149.66 146.96 27.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.52 ' CG1' ' CD2' ' I' ' 14' ' ' HIS . 34.2 m -150.66 149.66 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.666 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 7.2 m-85 -152.46 149.77 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.666 ' CG ' ' C ' ' J' ' 19' ' ' PHE . 0.1 OUTLIER 169.48 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.38 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' J' ' 22' ' ' GLU . 1.2 mp0 -125.61 110.63 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -130.12 162.96 27.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.399 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.625 ' C ' ' H ' ' J' ' 26' ' ' SER . 2.2 p -44.13 160.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.697 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.523 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -53.96 1.01 0.04 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.625 ' H ' ' C ' ' J' ' 24' ' ' VAL . 1.6 t -83.47 96.91 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.543 HD21 ' CG ' ' I' ' 23' ' ' ASP . 3.4 m-80 -109.8 177.33 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -99.24 127.34 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 95.17 1.8 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.435 ' H ' ' CB ' ' I' ' 30' ' ' ALA . . . -169.31 -106.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.51 HG23 ' HB ' ' I' ' 31' ' ' ILE . 9.2 mt -147.09 147.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -149.76 146.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.262 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.4 22.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' I' ' 34' ' ' LEU . 2.5 mt -151.18 147.86 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 35' ' ' MET . . . . . 1.03 ' O ' HG13 ' J' ' 36' ' ' VAL . 4.6 ptm -151.95 149.68 29.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 1.03 HG13 ' O ' ' J' ' 35' ' ' MET . 0.0 OUTLIER 169.64 -166.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.308 0.575 . . . . 0.0 111.106 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 1.082 ' HA2' ' H ' ' I' ' 37' ' ' GLY . . . 153.94 -154.18 25.33 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 38' ' ' GLY . . . . . 0.653 ' O ' ' O ' ' I' ' 39' ' ' VAL . . . -151.98 150.21 22.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.605 ' O ' HG23 ' J' ' 39' ' ' VAL . 5.1 m -107.59 120.71 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.648 ' H ' ' HA ' ' I' ' 40' ' ' VAL . 2.3 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.193 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.177 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.94 158.48 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.32 95.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -88.82 12.11 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -94.59 166.76 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.469 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -72.33 -122.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.63 143.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 30.2 t -69.67 -44.08 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.59 68.79 1.51 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -151.97 149.77 29.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.68 150.41 31.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' B' ' 13' ' ' HIS . 3.5 t -113.1 148.02 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -173.92 153.7 2.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.5 t-80 -172.86 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 38.2 mt-30 -145.77 -175.88 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 41.6 mtpt 42.77 -98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -145.55 143.99 30.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.112 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 14' ' ' HIS . 72.0 t -148.53 146.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.625 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.663 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -147.69 146.39 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.836 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 38.0 m-85 -156.12 154.19 30.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' B' ' 34' ' ' LEU . . . -149.47 101.38 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.443 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.42 173.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.2 p30 -98.46 140.45 32.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.23 111.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.46 -80.55 0.27 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -139.62 130.47 26.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.626 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.76 130.65 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -97.89 -166.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.01 92.55 0.25 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.39 -169.86 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 mt -145.94 144.81 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.298 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.1 pp -148.4 146.9 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.53 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 147.7 18.22 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.3 146.79 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.591 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ttt -149.47 146.41 27.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.22 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG12 HG22 ' B' ' 36' ' ' VAL . 9.0 m -150.81 151.26 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 148.25 19.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.05 149.9 21.78 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.07 149.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.447 ' O ' ' CE1' ' B' ' 4' ' ' PHE . . . -159.12 -174.73 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.3 -30.71 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' B' ' 2' ' ' ALA . 14.7 m-85 58.52 -161.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER 44.14 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.487 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.517 ' HD1' ' C ' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -127.14 171.19 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 6' ' ' HIS . 10.9 t70 59.63 126.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 50.0 m -92.11 -29.93 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.32 68.46 1.65 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.446 ' O ' ' OE2' ' C' ' 11' ' ' GLU . 4.6 t80 -146.98 145.53 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -154.81 152.42 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.94 133.1 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' C' ' 13' ' ' HIS . 79.5 t60 -164.1 131.19 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.575 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 0.0 OUTLIER -148.24 -153.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -129.16 170.63 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.9 mptp? 56.5 -99.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.37 144.5 29.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.332 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' B' ' 14' ' ' HIS . 58.2 t -151.12 149.5 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -158.8 156.27 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.836 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.62 -169.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.16 114.42 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.108 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.01 134.98 33.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 65.0 t0 -150.69 111.97 4.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.165 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -178.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.12 -87.4 1.35 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -159.3 114.83 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.302 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -79.71 152.34 29.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.41 174.75 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.458 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.2 94.59 0.55 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -143.84 -158.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 mt -145.25 144.49 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.211 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.89 145.67 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.4 153.3 24.71 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 34' ' ' LEU . 2.0 pt? -158.54 157.11 31.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.91 148.92 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.267 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.624 HG22 HG12 ' A' ' 36' ' ' VAL . 32.5 m -151.24 151.16 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.95 149.97 21.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.03 148.66 20.16 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.86 143.18 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.559 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.82 133.86 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -60.65 121.94 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -81.03 -61.51 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.56 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -64.76 -167.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -120.91 -166.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 t70 61.63 93.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 1.3 m -74.19 -33.54 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.44 68.55 1.62 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' C' ' 22' ' ' GLU . 36.5 t80 -146.78 144.97 29.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 0.0 110.323 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.446 ' OE2' ' O ' ' B' ' 10' ' ' TYR . 1.5 pm0 -152.84 151.13 30.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.379 . . . . 0.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.84 149.21 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 15.8 t60 -158.3 161.28 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.781 ' CG ' ' H ' ' C' ' 15' ' ' GLN . 75.5 t60 -173.56 -170.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.781 ' H ' ' CG ' ' C' ' 14' ' ' HIS . 85.5 mt-30 -116.36 -97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' B' ' 16' ' ' LYS . 3.1 tmtp? -47.76 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -147.89 146.09 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.343 . . . . 0.0 110.541 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.474 ' HB ' ' CG ' ' C' ' 14' ' ' HIS . 1.7 p -148.21 146.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.492 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.499 ' CD2' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -156.19 153.33 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.7 ' H ' ' HB3' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 170.43 -169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.44 . . . . 0.0 111.232 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.04 123.34 41.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CE2' ' C' ' 20' ' ' PHE . 64.2 mm-40 -94.77 117.23 29.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' D' ' 23' ' ' ASP . 10.8 t70 -141.1 108.45 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.725 HG12 ' H ' ' C' ' 25' ' ' GLY . 2.9 t -122.86 176.15 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.529 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.725 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.58 -96.21 2.11 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -147.62 119.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.592 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' C' ' 28' ' ' LYS . 36.8 t30 -80.96 173.61 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -120.64 167.62 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.511 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.03 96.96 1.84 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.765 ' C ' HD12 ' C' ' 31' ' ' ILE . . . -152.17 -141.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.765 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -145.19 144.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.157 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -146.12 144.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.856 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.35 146.06 15.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.856 HD12 ' C ' ' C' ' 33' ' ' GLY . 5.7 mp -149.75 148.37 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 110.705 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 35' ' ' MET . 0.0 OUTLIER -149.65 147.06 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.605 HG12 HG22 ' D' ' 36' ' ' VAL . 27.6 m -153.12 153.13 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.17 151.38 23.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.0 148.36 19.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.53 HG23 ' O ' ' C' ' 39' ' ' VAL . 6.1 m -120.12 125.1 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 39' ' ' VAL . 29.2 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 48.2 t0 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.21 -83.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' D' ' 4' ' ' PHE . 31.4 mt-10 -128.09 9.28 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' D' ' 6' ' ' HIS . 86.7 m-85 48.17 -177.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -75.57 18.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' D' ' 4' ' ' PHE . 28.3 m170 -83.46 179.76 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -87.86 146.04 25.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 45.6 m -87.98 -22.05 24.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.97 67.92 1.88 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' D' ' 22' ' ' GLU . 59.7 t80 -146.33 144.65 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.44 149.22 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.765 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -107.97 137.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' D' ' 14' ' ' HIS . 34.6 t-80 -148.22 168.23 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.6 ' N ' ' CG ' ' D' ' 13' ' ' HIS . 30.2 p-80 -174.78 -138.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' D' ' 14' ' ' HIS . 11.9 tt0 -148.87 -66.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' E' ' 16' ' ' LYS . 11.8 tptt -87.67 -75.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.72 143.88 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' D' ' 20' ' ' PHE . 2.8 p -147.54 145.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CD2' HG21 ' E' ' 36' ' ' VAL . 59.1 t80 -155.11 152.61 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.711 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.7 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER 172.16 -171.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.018 0.437 . . . . 0.0 111.28 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 127.67 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' D' ' 10' ' ' TYR . 74.2 mm-40 -97.17 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.702 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 33.9 t0 -133.4 105.47 6.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.383 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.787 HG12 ' H ' ' D' ' 25' ' ' GLY . 3.9 t -141.76 178.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.787 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 92.15 -86.61 1.24 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -144.59 109.4 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.445 ' N ' HD22 ' D' ' 27' ' ' ASN . 1.4 m-80 -94.2 171.26 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -114.24 163.74 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 102.99 2.81 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -157.16 -129.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.814 ' O ' HD13 ' D' ' 32' ' ' ILE . 9.1 tt -145.1 144.03 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.814 HD13 ' O ' ' D' ' 31' ' ' ILE . 6.3 mm -146.35 145.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.315 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.73 147.31 17.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mp -150.23 148.43 28.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.707 0.289 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' E' ' 35' ' ' MET . 4.1 ppp? -150.19 148.11 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.623 HG12 HG22 ' E' ' 36' ' ' VAL . 34.2 m -153.74 153.22 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.547 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.25 153.15 24.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.41 149.97 21.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.85 154.43 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.97 63.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 44.98 87.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -67.69 -80.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -172.82 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.501 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -150.58 -85.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' E' ' 9' ' ' GLY . 56.0 t0 -160.45 124.23 3.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.0 OUTLIER -70.44 11.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 9' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' E' ' 7' ' ' ASP . . . 62.99 65.92 2.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.536 ' CE1' ' OE1' ' E' ' 22' ' ' GLU . 42.8 p90 -147.88 146.47 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 110.333 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -151.21 150.09 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -110.29 149.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.649 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.27 -178.97 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.57 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 0.0 OUTLIER -89.14 -86.99 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.57 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 18.3 mm100 58.4 -142.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' D' ' 16' ' ' LYS . 5.9 mmmt -84.47 -79.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -148.51 146.35 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.14 147.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 5.4 m-85 -153.65 151.45 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.206 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.708 ' HD1' ' N ' ' E' ' 20' ' ' PHE . 0.0 OUTLIER -179.07 179.35 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.128 0.49 . . . . 0.0 111.356 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 119.57 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' E' ' 10' ' ' TYR . 74.3 mt-10 -92.02 113.46 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -136.21 108.87 7.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 24' ' ' VAL . 0.2 OUTLIER -166.75 156.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . 85.17 -34.98 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -143.13 105.43 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -137.3 172.86 12.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 151.87 51.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.93 99.06 2.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -156.76 -116.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.553 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.801 ' O ' HD13 ' E' ' 32' ' ' ILE . 3.2 pt -145.31 144.62 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.801 HD13 ' O ' ' E' ' 31' ' ' ILE . 6.5 mm -146.0 144.47 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.15 149.52 21.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -150.6 148.41 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.45 ' O ' HG13 ' E' ' 36' ' ' VAL . 12.3 ptm -151.69 149.44 29.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' D' ' 19' ' ' PHE . 29.4 m -156.6 156.06 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.76 153.33 24.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.55 19.85 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -115.81 154.8 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.571 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' F' ' 3' ' ' GLU . . . -136.77 -151.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 3' ' ' GLU . . . . . 0.702 ' H ' ' H ' ' G' ' 3' ' ' GLU . 40.6 mm-40 53.36 106.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' F' ' 3' ' ' GLU . 42.3 m-85 -161.31 -92.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -76.4 -159.16 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 6' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' F' ' 6' ' ' HIS . 0.0 OUTLIER -82.15 154.11 25.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 7' ' ' ASP . . . . . 0.551 ' H ' ' HA2' ' G' ' 25' ' ' GLY . 0.1 OUTLIER 166.43 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.5 OUTLIER -86.06 -101.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.447 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 9' ' ' GLY . . . . . 0.984 ' N ' ' HA ' ' G' ' 8' ' ' SER . . . 63.28 71.2 0.87 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.43 ' H ' ' H ' ' G' ' 10' ' ' TYR . 1.0 OUTLIER -163.81 161.57 23.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.255 0.55 . . . . 0.0 111.458 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.9 pm0 -147.24 145.65 29.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.578 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.989 ' HB ' ' H ' ' G' ' 13' ' ' HIS . 98.6 t -71.35 92.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.497 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.458 ' HA ' ' ND1' ' G' ' 13' ' ' HIS . 25.7 p-80 -96.91 134.0 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 176.81 172.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -148.14 -177.52 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.3 mttt 55.15 -120.73 1.65 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.759 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 0.3 OUTLIER -147.63 144.48 28.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.025 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 1.111 ' O ' HG23 ' G' ' 18' ' ' VAL . 10.0 p 162.19 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.996 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -159.96 159.35 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' G' ' 20' ' ' PHE . 11.3 m-85 -161.87 159.9 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.762 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.718 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -168.46 134.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.69 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 9.9 pt-20 -177.17 132.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 146.65 37.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' F' ' 25' ' ' GLY . 0.2 OUTLIER -136.94 162.92 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.581 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 100.23 -44.93 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' G' ' 27' ' ' ASN . 1.2 m -168.19 91.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.52 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -96.73 109.7 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -103.96 -158.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.488 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.28 89.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -142.8 -178.47 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.402 HG21 HD13 ' F' ' 31' ' ' ILE . 9.7 mt -146.65 145.14 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.397 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.9 145.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 146.12 15.41 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.916 ' H ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.77 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 110.555 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 6.6 tpt -151.45 148.92 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' G' ' 36' ' ' VAL . 14.3 m -151.6 151.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.15 146.42 15.77 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.27 153.32 24.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.56 139.07 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.309 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.577 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 1' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' G' ' 6' ' ' HIS . 26.2 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.78 86.17 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 3' ' ' GLU . . . . . 0.702 ' H ' ' H ' ' F' ' 3' ' ' GLU . 4.8 mt-10 61.8 124.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -68.11 156.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 50.97 70.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.628 ' N ' ' ND1' ' G' ' 6' ' ' HIS . 0.5 OUTLIER -60.54 120.56 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 7' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' G' ' 8' ' ' SER . 39.5 t0 -119.94 -22.89 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.9 OUTLIER 35.85 42.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 1.286 ' O ' ' N ' ' H' ' 10' ' ' TYR . . . -66.26 -71.45 0.9 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.988 ' HB2' ' O ' ' G' ' 9' ' ' GLY . 0.1 OUTLIER 146.98 -143.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' F' ' 11' ' ' GLU . 3.6 mt-10 -163.89 162.12 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.453 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 1.008 ' O ' HG23 ' H' ' 12' ' ' VAL . 39.1 t 124.84 59.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.989 ' H ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 t-80 -132.4 162.8 30.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.501 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.984 ' CG ' ' H ' ' G' ' 15' ' ' GLN . 81.7 t60 176.0 -164.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.524 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.984 ' H ' ' CG ' ' G' ' 14' ' ' HIS . 33.8 tt0 -139.31 -67.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -90.58 -87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.629 ' N ' ' NE2' ' G' ' 14' ' ' HIS . 1.9 pp -150.05 146.6 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.027 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 1.111 HG23 ' O ' ' F' ' 18' ' ' VAL . 11.2 p 174.58 -173.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.22 0.534 . . . . 0.0 111.32 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 1.017 ' H ' HG22 ' G' ' 18' ' ' VAL . 9.6 t80 -148.06 149.04 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' F' ' 20' ' ' PHE . 9.5 m-85 -144.69 142.82 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' G' ' 19' ' ' PHE . . . -153.37 128.83 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.237 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.69 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.2 OUTLIER 173.22 155.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.856 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.422 ' OD1' ' OD1' ' G' ' 27' ' ' ASN . 3.5 p-10 -102.36 149.2 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.693 HG13 ' P ' ' F' ' 101' ' ' 2PO . 14.3 p -134.4 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.688 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.587 ' CA ' ' O3P' ' F' ' 101' ' ' 2PO . . . 113.29 -69.21 0.23 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.2 p -155.84 95.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.534 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' F' ' 26' ' ' SER . 39.7 t30 -92.04 136.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -109.8 -175.1 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.35 93.54 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.779 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -141.71 -172.27 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -146.2 145.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.294 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.98 145.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.531 ' C ' HD23 ' G' ' 34' ' ' LEU . . . -153.83 151.36 23.1 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.718 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.1 OUTLIER -159.4 159.31 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.912 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' G' ' 35' ' ' MET . 3.8 ppp? -153.95 150.52 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.249 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' F' ' 36' ' ' VAL . 12.3 m -154.6 155.65 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.08 151.42 23.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.9 146.17 15.54 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.66 160.83 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.617 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.631 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.38 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.69 2.65 6.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.45 72.88 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.34 104.8 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -42.43 138.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.0 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 1.3 t -176.02 173.47 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' I' ' 9' ' ' GLY . . . 66.13 67.08 2.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 1.286 ' N ' ' O ' ' G' ' 9' ' ' GLY . 32.7 p90 -138.59 136.43 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 1.264 ' O ' HG13 ' H' ' 12' ' ' VAL . 0.5 OUTLIER -57.36 -70.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.628 0.251 . . . . 0.0 110.675 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 1.264 HG13 ' O ' ' H' ' 11' ' ' GLU . 30.4 m 135.83 -128.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER 157.5 -161.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' H' ' 15' ' ' GLN . 7.7 t-80 78.57 107.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.63 ' OE1' ' ND1' ' I' ' 14' ' ' HIS . 0.0 OUTLIER 158.65 172.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.683 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -96.05 -62.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 1.044 ' O ' HG13 ' H' ' 18' ' ' VAL . 2.1 pp -148.7 145.08 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.737 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 1.044 HG13 ' O ' ' H' ' 17' ' ' LEU . 0.0 OUTLIER 177.64 -177.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.362 0.601 . . . . 0.0 111.663 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.83 ' O ' ' CD2' ' H' ' 20' ' ' PHE . 4.0 t80 -149.41 148.62 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.705 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.83 ' CD2' ' O ' ' H' ' 19' ' ' PHE . 27.4 m-85 -150.75 150.59 31.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.01 107.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 1.7 pm0 -166.1 158.69 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 1.3 p30 -122.73 164.49 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.266 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.776 ' CG1' ' N ' ' H' ' 25' ' ' GLY . 8.4 t -115.69 177.49 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.558 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.776 ' N ' ' CG1' ' H' ' 24' ' ' VAL . . . 82.81 -86.86 1.47 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -157.73 131.43 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.422 HD21 ' HA ' ' G' ' 27' ' ' ASN . 2.7 p-10 -97.04 -173.2 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -128.22 -179.36 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.644 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' G' ' 28' ' ' LYS . . . -94.08 104.39 3.15 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.977 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -151.2 -145.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.639 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.405 HG21 HD13 ' H' ' 31' ' ' ILE . 25.4 mt -144.72 143.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.0 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.94 145.58 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.591 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -147.58 144.24 12.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.814 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -150.72 150.74 31.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' H' ' 35' ' ' MET . 0.7 OUTLIER -146.97 144.5 29.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.091 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.771 HG12 ' H ' ' I' ' 36' ' ' VAL . 19.9 m -152.21 151.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.736 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.66 150.33 22.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.23 146.68 16.54 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.38 130.42 63.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.594 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.41 -169.52 0.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 3' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' I' ' 4' ' ' PHE . 23.9 mm-40 56.67 109.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' I' ' 3' ' ' GLU . 31.8 m-85 -163.65 164.85 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 57.37 160.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -82.76 -0.38 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.55 -65.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 22.0 p -44.79 121.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -148.48 146.81 16.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -145.14 144.73 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.64 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 1.073 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 9.7 pt-20 -144.68 142.99 30.5 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.57 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.641 ' H ' ' HA ' ' J' ' 11' ' ' GLU . 0.4 OUTLIER -124.15 140.33 47.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.601 ' O ' ' CB ' ' H' ' 13' ' ' HIS . 6.2 t60 -152.49 145.09 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.183 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.63 ' ND1' ' OE1' ' H' ' 15' ' ' GLN . 79.3 m-70 -159.08 -163.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.919 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' I' ' 16' ' ' LYS . 28.8 tt0 -128.14 -126.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.663 ' C ' ' O ' ' I' ' 15' ' ' GLN . 62.8 tttt -9.35 -88.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' H' ' 17' ' ' LEU . 2.2 pp -147.54 144.73 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' I' ' 14' ' ' HIS . 0.5 OUTLIER -150.48 149.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.766 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.619 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 29.5 t80 -155.73 152.27 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.724 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 169.12 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 120.47 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.466 ' O ' ' OE1' ' J' ' 22' ' ' GLU . 3.3 mp0 -115.74 89.2 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' J' ' 23' ' ' ASP . 44.5 t0 -100.23 146.38 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.797 HG12 ' H ' ' I' ' 25' ' ' GLY . 6.7 t -139.77 176.95 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.707 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.797 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 99.08 -97.12 1.79 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.546 ' H ' ' HA3' ' J' ' 25' ' ' GLY . 93.8 p -143.89 107.92 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.56 166.39 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.797 ' CD ' ' H ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -103.69 129.64 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.42 102.74 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.977 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -163.6 -126.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.626 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -145.21 144.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.03 147.06 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.859 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.3 149.67 21.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.859 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.9 mp -150.62 149.75 30.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.426 ' C ' HG13 ' I' ' 36' ' ' VAL . 5.4 ptt? -149.07 146.59 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.771 ' H ' HG12 ' H' ' 36' ' ' VAL . 29.8 m -153.34 152.66 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.665 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 150.9 22.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.11 147.2 17.41 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 m -116.49 138.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.576 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.24 118.06 7.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -158.31 -12.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -87.61 156.75 19.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -86.37 0.19 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.89 -46.14 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.94 177.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.0 OUTLIER 42.32 91.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 9' ' ' GLY . . . . . 0.498 ' CA ' ' HA2' ' I' ' 9' ' ' GLY . . . -63.81 -71.69 0.81 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 1.073 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 29.1 t80 -156.2 154.65 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.573 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.765 ' O ' HG12 ' J' ' 12' ' ' VAL . 0.0 OUTLIER -157.11 157.74 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.765 HG12 ' O ' ' J' ' 11' ' ' GLU . 0.3 OUTLIER 87.05 118.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.795 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 52.1 t-80 -126.19 17.44 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' J' ' 15' ' ' GLN . 1.0 OUTLIER 77.42 -152.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.551 ' CB ' ' O ' ' J' ' 14' ' ' HIS . 1.8 tp-100 85.58 126.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.689 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' I' ' 16' ' ' LYS . 32.7 mmtm 40.07 -104.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.87 146.35 27.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -149.16 148.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 8.1 t80 -153.02 150.55 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.229 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 3.6 p90 175.77 -174.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.264 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.79 130.19 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.429 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' I' ' 22' ' ' GLU . 37.8 mm-40 -135.16 95.7 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.482 ' O ' ' OD1' ' I' ' 23' ' ' ASP . 16.8 t70 -123.95 160.07 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.35 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' J' ' 26' ' ' SER . 18.8 m -53.98 142.87 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.619 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.546 ' HA3' ' H ' ' I' ' 26' ' ' SER . . . -40.57 -22.4 0.05 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.7 OUTLIER -85.82 128.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.64 178.05 6.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.44 77.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.29 6.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.929 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -88.91 -12.5 41.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 tt -149.43 146.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.269 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -149.36 146.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.05 150.68 22.68 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.89 146.16 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.228 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.79 148.53 29.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.519 ' H ' HG12 ' I' ' 36' ' ' VAL . 17.4 m -155.23 153.41 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.96 153.25 24.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.18 150.77 22.67 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -106.26 151.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.7 -130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.73 48.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 36.4 m-85 54.55 15.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 53.2 47.99 23.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -124.63 161.73 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 11.9 p30 -45.95 129.25 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 3.2 t -46.02 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.615 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.33 69.75 1.23 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -153.63 151.21 29.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.593 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -154.79 154.03 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' OH ' ' B' ' 10' ' ' TYR . 15.4 m -119.97 114.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 10.3 p80 -155.82 166.23 34.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.584 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 1.8 t60 -175.78 -116.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.624 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 12.1 tt0 -157.49 171.23 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.612 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 60.7 mttm 53.12 -95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' C ' ' A' ' 17' ' ' LEU . 2.8 tt -145.61 144.95 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.032 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.79 ' O ' HG23 ' B' ' 18' ' ' VAL . 37.3 t -151.1 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.394 . . . . 0.0 110.64 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' CG2' ' A' ' 36' ' ' VAL . 2.2 p90 -149.76 147.86 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.403 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' B' ' 20' ' ' PHE . 26.8 m-85 -149.65 147.18 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.389 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.92 102.93 3.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' B' ' 22' ' ' GLU . 3.4 pt-20 171.76 157.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -72.71 132.99 44.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.52 114.51 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.73 -70.38 0.5 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.83 117.61 8.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.91 121.55 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -100.53 -168.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.72 80.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.01 -171.74 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.295 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mt -146.52 144.56 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.102 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.739 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.9 pp -149.56 148.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' B' ' 33' ' ' GLY . . . -152.2 149.74 21.48 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.862 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 pt? -153.8 152.83 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.012 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 1.032 ' O ' HG13 ' A' ' 36' ' ' VAL . 28.5 ttt -156.47 152.64 27.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.261 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.069 ' CG1' HG23 ' B' ' 36' ' ' VAL . 0.0 OUTLIER 170.25 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.752 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.762 ' H ' ' HA2' ' B' ' 37' ' ' GLY . . . 67.63 69.67 1.32 Allowed Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.562 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . -142.98 140.52 9.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 39' ' ' VAL . 2.4 p -64.4 53.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 110.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.574 ' N ' ' O ' ' A' ' 38' ' ' GLY . 33.4 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' B' ' 4' ' ' PHE . 14.2 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.71 -10.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.401 ' H ' ' H ' ' B' ' 4' ' ' PHE . 72.2 tt0 -164.23 -13.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' B' ' 1' ' ' ASP . 89.9 m-85 51.06 178.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 6' ' ' HIS . 75.1 mtt85 -76.77 -115.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 5' ' ' ARG . 76.6 m80 56.72 155.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.664 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' B' ' 8' ' ' SER . 2.7 p30 -68.8 -171.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.174 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.4 p 156.53 143.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.411 ' H ' ' HB3' ' A' ' 8' ' ' SER . . . -148.0 145.94 15.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.632 ' OH ' HG12 ' B' ' 12' ' ' VAL . 45.2 t80 -147.77 145.73 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.69 154.02 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.632 HG12 ' OH ' ' B' ' 10' ' ' TYR . 2.7 m -120.62 160.01 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.805 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 26.4 t-80 -178.69 129.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.705 ' CD2' HG21 ' B' ' 18' ' ' VAL . 39.5 m-70 -141.03 -147.96 0.23 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.566 ' N ' ' OE1' ' B' ' 15' ' ' GLN . 19.1 mp0 -128.29 -109.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.893 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 65.6 mmtt -37.44 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.404 HD12 HD22 ' C' ' 17' ' ' LEU . 6.4 tt -148.08 146.11 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.534 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' VAL . 9.5 p -148.55 146.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 8.0 p90 -154.72 152.68 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.73 ' H ' ' HB3' ' C' ' 20' ' ' PHE . 10.7 p90 -168.78 168.89 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.32 116.99 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.225 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.9 pt-20 -178.87 169.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.59 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 41.9 p30 -117.32 155.07 30.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.388 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.48 ' H ' HG13 ' C' ' 24' ' ' VAL . 0.3 OUTLIER -99.24 108.34 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.493 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.1 -94.92 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -154.49 115.78 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.584 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -84.28 154.76 22.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -93.17 -178.97 4.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.7 105.78 1.56 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.63 -160.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.683 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 31' ' ' ILE . 26.2 mt -145.77 145.86 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.164 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 11.7 mt -147.8 145.79 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.282 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -156.18 153.81 25.03 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 3.2 pp -157.63 156.63 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . 1.066 ' O ' HG22 ' B' ' 36' ' ' VAL . 1.9 tmt? -152.56 151.27 30.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.69 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 1.069 HG23 ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER 155.7 -151.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.38 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.762 ' HA2' ' H ' ' A' ' 37' ' ' GLY . . . 153.55 -153.6 24.95 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . -144.0 142.77 11.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -76.62 141.27 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.86 ' H ' HG23 ' A' ' 39' ' ' VAL . 6.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.663 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.9 p30 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.84 -74.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -92.76 158.93 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.496 ' CD2' ' C ' ' C' ' 4' ' ' PHE . 2.1 t80 -176.63 112.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.51 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' C' ' 6' ' ' HIS . 15.3 t-80 -177.16 87.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.496 ' H ' ' HA ' ' D' ' 7' ' ' ASP . 7.8 m-20 56.61 122.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 8.1 m -42.66 -32.09 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' C' ' 10' ' ' TYR . . . 64.31 69.03 1.43 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' C' ' 9' ' ' GLY . 26.5 m-85 -143.98 142.45 30.72 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -150.54 149.26 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.58 130.45 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -131.65 170.68 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' C' ' 15' ' ' GLN . 7.7 t-80 -173.9 -162.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.677 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.65 ' H ' ' CG ' ' C' ' 14' ' ' HIS . 34.7 tt0 -137.48 -65.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 4.0 mmtp -82.8 -81.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.546 ' O ' ' CE1' ' C' ' 14' ' ' HIS . 6.7 tt -145.56 143.8 30.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.301 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.751 HG12 HG22 ' D' ' 18' ' ' VAL . 3.6 p -150.64 148.24 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.636 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -158.1 156.36 30.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.73 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.59 -169.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.55 112.59 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.314 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.93 116.72 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.693 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 47.1 t0 -140.12 119.65 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.265 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.587 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.6 OUTLIER -128.58 179.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.624 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.587 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 95.47 -87.48 1.03 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p -157.58 108.64 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 14.0 t30 -71.93 -176.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.589 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.1 OUTLIER -131.44 161.8 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.555 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.7 95.01 1.45 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.772 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -148.0 -139.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.57 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -144.48 143.6 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 32' ' ' ILE . 11.5 mt -146.2 144.73 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -150.23 148.09 18.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.684 HD23 ' N ' ' C' ' 34' ' ' LEU . 1.9 pt? -153.84 153.72 32.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.446 ' HB2' HG13 ' B' ' 36' ' ' VAL . 12.5 ptm -148.03 145.17 28.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.077 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.995 ' H ' HG21 ' B' ' 36' ' ' VAL . 18.4 m -150.09 146.85 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.35 153.73 25.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 149.53 21.24 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.402 ' CG2' HG23 ' D' ' 39' ' ' VAL . 6.3 m -94.49 120.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.521 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.02 -70.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.18 124.16 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -174.06 95.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -163.57 -77.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -173.52 -45.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.496 ' HA ' ' H ' ' C' ' 7' ' ' ASP . 7.6 p-10 -53.72 -177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 2.2 p 71.78 108.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.74 ' H ' ' H ' ' C' ' 8' ' ' SER . . . -151.37 147.47 17.41 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' D' ' 10' ' ' TYR . 0.0 OUTLIER -150.54 150.81 31.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.652 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -147.24 145.58 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.21 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.439 HG23 HG23 ' E' ' 12' ' ' VAL . 2.6 m -122.64 133.3 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.706 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' D' ' 13' ' ' HIS . 1.3 t-80 -156.3 115.32 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.485 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.631 ' CG ' HG21 ' D' ' 18' ' ' VAL . 0.0 OUTLIER -143.02 -159.99 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' D' ' 17' ' ' LEU . 61.6 mm-40 -126.2 -167.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 15.1 mmtt 39.56 -98.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' D' ' 15' ' ' GLN . 5.8 tt -149.57 146.5 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.382 . . . . 0.0 110.492 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.751 HG22 HG12 ' C' ' 18' ' ' VAL . 70.2 t -149.53 149.0 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.608 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 28.3 t80 -154.81 151.65 28.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' E' ' 20' ' ' PHE . 0.4 OUTLIER 177.52 -176.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 111.306 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.36 135.98 53.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -113.82 122.13 46.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.787 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -143.92 116.27 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.236 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.518 HG13 ' H ' ' C' ' 24' ' ' VAL . 0.2 OUTLIER -138.06 -174.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.517 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 88.71 -92.13 1.78 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -146.17 106.37 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -86.03 165.66 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.554 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -106.01 153.62 21.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.42 101.8 2.15 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.772 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.35 -127.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 0.0 110.552 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.411 HD13 HG21 ' D' ' 31' ' ' ILE . 12.3 mt -144.31 143.61 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.208 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' D' ' 32' ' ' ILE . 7.0 mt -146.94 145.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.374 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.488 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -149.75 148.29 19.44 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.883 HD23 ' N ' ' D' ' 34' ' ' LEU . 0.7 OUTLIER -152.32 149.19 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' E' ' 35' ' ' MET . 22.6 ptp -150.13 149.36 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.623 HG21 ' CG ' ' C' ' 19' ' ' PHE . 31.4 m -151.89 151.01 12.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.09 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.53 150.19 22.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' C' ' 39' ' ' VAL . 1.7 p -106.61 129.96 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.583 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.57 -19.54 63.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -173.74 161.71 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -83.01 -74.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -161.75 24.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.31 123.22 29.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -46.59 158.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.9 OUTLIER -126.29 97.29 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.44 65.9 2.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.412 ' CD2' ' C ' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -148.92 147.65 28.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.785 0.326 . . . . 0.0 110.373 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.56 149.1 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.577 HG22 ' N ' ' E' ' 13' ' ' HIS . 4.1 p -125.29 162.61 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.577 ' N ' HG22 ' E' ' 12' ' ' VAL . 0.9 OUTLIER -144.56 -59.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' E' ' 15' ' ' GLN . 6.7 p80 41.84 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.608 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.653 ' N ' ' ND1' ' E' ' 14' ' ' HIS . 23.3 mm-40 -143.68 -48.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' E' ' 16' ' ' LYS . 10.6 mptt -82.22 -88.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -148.21 146.1 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -151.78 149.55 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 8.8 m-85 -155.02 153.28 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.647 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER 175.75 -174.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.81 112.46 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.467 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' E' ' 22' ' ' GLU . 1.4 mp0 -101.46 112.01 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.72 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' E' ' 22' ' ' GLU . 90.0 m-20 -137.57 132.1 32.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.63 108.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.85 37.41 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -135.95 149.33 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.602 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -137.61 172.47 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -127.97 -153.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.37 175.03 0.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -70.73 5.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -148.38 145.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.331 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -147.53 146.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -151.37 149.09 20.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mt -149.57 148.13 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.444 ' O ' HG13 ' E' ' 36' ' ' VAL . 2.5 ptt? -152.64 149.82 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.612 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.58 HG22 HG12 ' D' ' 36' ' ' VAL . 27.1 m -156.0 155.57 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.98 153.3 24.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.89 152.91 24.45 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.61 163.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.615 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.549 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.0 -159.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 3' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' F' ' 3' ' ' GLU . 0.5 OUTLIER -82.95 158.26 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' F' ' 5' ' ' ARG . 0.3 OUTLIER -159.82 172.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 5' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' F' ' 4' ' ' PHE . 36.7 mmt-85 57.59 143.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 6' ' ' HIS . . . . . 0.447 ' ND1' ' NH2' ' H' ' 5' ' ' ARG . 93.2 m-70 -42.93 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 7' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' F' ' 9' ' ' GLY . 28.0 t70 -68.61 65.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.3 OUTLIER -38.31 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' F' ' 7' ' ' ASP . . . 149.37 -146.97 16.87 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.702 ' HA ' ' HA ' ' G' ' 10' ' ' TYR . 13.3 p90 -146.11 144.88 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' G' ' 11' ' ' GLU . 0.0 OUTLIER -60.51 -72.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.995 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.579 HG23 ' H ' ' G' ' 13' ' ' HIS . 27.3 m -147.85 158.66 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.638 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 30.0 t-80 -171.3 82.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.65 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 1.5 m170 162.22 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' F' ' 14' ' ' HIS . 56.0 mm-40 75.4 127.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 74.0 mttt -56.6 -61.98 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.662 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.2 pp -148.48 144.75 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.664 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 1.051 HG22 ' H ' ' F' ' 19' ' ' PHE . 4.5 p 170.62 -169.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.215 0.531 . . . . 0.0 111.287 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 1.051 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -149.6 149.77 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.168 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 1.013 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 27.7 m-85 -148.7 145.29 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.533 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.53 112.72 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.468 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 176.44 177.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.622 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 1.2 p30 -101.21 133.53 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.615 ' H ' HG13 ' G' ' 24' ' ' VAL . 6.3 p -104.55 147.79 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.521 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -56.04 2.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -156.27 117.96 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.705 0.288 . . . . 0.0 110.624 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -102.37 144.15 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.529 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 11.5 mptt -107.03 -172.06 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.37 108.89 2.64 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.5 -164.03 1.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.705 0.288 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -143.32 142.2 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.99 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.75 146.69 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.434 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -147.2 145.99 15.32 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.859 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -149.09 146.76 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.57 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.454 ' O ' ' HA ' ' G' ' 35' ' ' MET . 31.8 ttm -150.65 148.07 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.775 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 11.5 m -152.31 152.64 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.915 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.32 147.95 18.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.81 150.54 22.44 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.438 HG13 HG23 ' G' ' 39' ' ' VAL . 7.6 p -128.9 152.72 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.554 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.408 ' N ' HG22 ' F' ' 39' ' ' VAL . 7.2 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.595 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.4 164.72 13.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.97 -1.52 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 50.65 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 5' ' ' ARG . . . . . 0.432 ' H ' ' HD2' ' G' ' 5' ' ' ARG . 2.4 mpt_? -83.03 -124.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 m80 52.57 12.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' NE ' ' H' ' 5' ' ' ARG . 1.8 m-20 64.88 164.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.539 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 45.7 t -72.04 -54.24 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' F' ' 8' ' ' SER . . . 63.57 67.88 1.88 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.903 ' OH ' HG11 ' H' ' 24' ' ' VAL . 3.8 p90 -151.35 149.82 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.428 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' F' ' 11' ' ' GLU . 0.5 OUTLIER -152.37 152.29 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.456 ' N ' ' HG2' ' G' ' 11' ' ' GLU . 0.8 OUTLIER -119.57 150.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.66 ' O ' ' CG ' ' G' ' 14' ' ' HIS . 1.7 t-80 179.82 159.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 30.4 m80 -162.81 -146.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' G' ' 17' ' ' LEU . 1.3 mp0 -138.26 -173.68 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 27.9 mmtp 33.56 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' G' ' 15' ' ' GLN . 1.3 pp -147.01 144.38 29.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.656 HG21 ' CB ' ' G' ' 14' ' ' HIS . 33.8 t -155.38 153.49 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -163.27 161.92 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 1.013 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 19.9 p90 161.96 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.73 127.41 32.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.318 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 2.4 tp10 -98.22 115.22 27.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 7.3 t70 -130.2 108.91 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.299 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.72 HG12 ' H ' ' G' ' 25' ' ' GLY . 1.4 t -126.4 -158.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.679 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.72 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 75.21 -82.03 0.91 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -152.2 110.96 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.649 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' F' ' 28' ' ' LYS . 63.6 t-20 -87.96 92.37 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.634 ' CD ' ' H ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -72.56 -179.13 2.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.81 88.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.46 -171.15 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.527 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -145.32 144.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.114 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.28 145.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 150.26 22.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.778 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.0 pt? -156.06 154.56 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -149.46 148.74 29.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.622 HG12 HG12 ' F' ' 36' ' ' VAL . 7.3 p -153.95 152.09 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.664 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.94 152.48 24.13 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.37 147.49 17.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.538 ' CG1' HG13 ' H' ' 39' ' ' VAL . 2.5 p -126.8 146.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.571 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.23 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 62.22 173.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' H' ' 5' ' ' ARG . 60.2 t80 -169.65 176.71 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 5' ' ' ARG . . . . . 0.622 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 12.4 ttp180 70.99 140.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' H' ' 5' ' ' ARG . 1.3 m-70 -49.32 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -55.87 133.73 51.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 11.0 m -98.99 -1.85 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 0.421 ' N ' ' HA3' ' I' ' 9' ' ' GLY . . . 63.68 69.39 1.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.789 ' CD1' ' CZ ' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -151.73 148.16 27.56 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.382 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 1.184 ' HA ' ' O ' ' I' ' 10' ' ' TYR . 2.7 pm0 -153.43 153.46 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.201 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.653 ' H ' ' HA ' ' I' ' 11' ' ' GLU . 78.7 t -99.81 86.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.3 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.633 ' HA ' ' HB2' ' I' ' 13' ' ' HIS . 8.0 m170 -85.14 165.72 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.437 ' NE2' ' HB3' ' I' ' 13' ' ' HIS . 4.8 p-80 177.24 -178.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' H' ' 17' ' ' LEU . 3.1 mm-40 -138.32 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' G' ' 16' ' ' LYS . 5.6 mptp? 39.01 -89.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.1 pp -144.73 142.73 30.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.886 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 3.5 t -153.11 151.01 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.936 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.549 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.5 OUTLIER -155.56 153.31 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.391 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 169.8 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.033 0.444 . . . . 0.0 111.236 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.68 132.23 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -91.22 117.36 29.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' I' ' 26' ' ' SER . 1.8 t0 -143.95 94.72 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.42 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.903 HG11 ' OH ' ' G' ' 10' ' ' TYR . 2.9 p -139.6 164.17 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.64 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.606 ' N ' HG22 ' H' ' 24' ' ' VAL . . . 100.63 -58.58 0.71 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.438 ' N ' ' OE2' ' I' ' 3' ' ' GLU . 3.4 m -165.53 115.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.588 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' H' ' 28' ' ' LYS . 0.6 OUTLIER -90.72 167.16 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.67 ' N ' ' ND2' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -126.74 168.37 14.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.31 101.68 2.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.43 -147.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.642 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -144.06 143.63 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.83 144.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.832 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.67 148.13 19.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.832 HD12 ' C ' ' H' ' 33' ' ' GLY . 5.7 mp -149.41 147.91 28.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' I' ' 35' ' ' MET . 15.4 ptm -148.11 145.32 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.305 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 36' ' ' VAL . 10.0 m -154.42 154.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.43 152.23 23.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.39 146.92 17.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.538 HG13 ' CG1' ' G' ' 39' ' ' VAL . 3.5 t -109.27 149.1 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.528 HG23 HG12 ' H' ' 39' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' CE1' ' I' ' 4' ' ' PHE . . . -42.96 108.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 3' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' I' ' 3' ' ' GLU . 1.5 pm0 -41.46 144.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' I' ' 2' ' ' ALA . 66.7 m-85 -124.12 -165.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 44.97 -161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.421 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 2.1 m-70 -95.34 115.12 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 7' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' I' ' 7' ' ' ASP . 1.2 m-20 -117.65 169.57 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.515 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.178 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 0.9 OUTLIER 73.38 109.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.501 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 9' ' ' GLY . . . . . 0.538 ' C ' ' HA3' ' J' ' 9' ' ' GLY . . . -62.23 -68.79 1.51 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 1.254 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.1 OUTLIER -153.0 148.53 27.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 110.56 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.972 ' N ' ' H ' ' J' ' 10' ' ' TYR . 0.6 OUTLIER -153.37 151.59 30.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 110.596 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.744 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 91.3 t 111.81 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.633 ' HB2' ' HA ' ' H' ' 13' ' ' HIS . 1.6 t-160 -80.23 -152.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.566 ' O ' ' ND1' ' I' ' 14' ' ' HIS . 0.1 OUTLIER -156.7 129.17 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' I' ' 17' ' ' LEU . 0.0 OUTLIER 172.2 130.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.476 ' HB3' ' H ' ' I' ' 17' ' ' LEU . 15.7 tptt 38.26 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' I' ' 15' ' ' GLN . 61.1 tp -148.14 145.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.373 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -146.85 145.75 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 19.5 t80 -152.45 149.62 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.9 p90 -177.85 178.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.093 0.473 . . . . 0.0 111.426 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.83 115.21 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' I' ' 11' ' ' GLU . 15.1 mt-10 -91.65 103.37 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.12 115.28 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.534 HG11 ' N ' ' J' ' 25' ' ' GLY . 0.7 OUTLIER -42.88 137.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.411 ' C ' ' OD1' ' H' ' 23' ' ' ASP . . . 45.95 -159.95 0.23 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.515 ' N ' ' OD1' ' H' ' 23' ' ' ASP . 3.5 t -92.86 171.83 8.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' I' ' 27' ' ' ASN . 22.0 p-10 -70.53 153.48 42.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' I' ' 30' ' ' ALA . 10.7 mmtp -75.72 -177.75 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.02 79.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' I' ' 28' ' ' LYS . . . -155.48 -145.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.3 145.5 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.29 148.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.804 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -153.11 150.02 21.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.804 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.4 mp -153.91 153.53 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.39 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' H' ' 35' ' ' MET . 14.4 ptm -151.13 148.97 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.463 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.641 HG12 HG22 ' J' ' 36' ' ' VAL . 32.9 m -154.01 153.29 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.97 155.18 26.1 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 148.14 19.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.34 121.72 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.604 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.98 -71.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 65.17 179.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 51.72 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -43.16 156.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 6' ' ' HIS . . . . . 0.498 ' CD2' ' OD1' ' J' ' 7' ' ' ASP . 5.6 t-160 -158.39 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 7' ' ' ASP . . . . . 0.742 ' HA ' ' OG ' ' I' ' 8' ' ' SER . 9.6 m-20 -69.0 -151.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 20.6 m 36.66 83.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 9' ' ' GLY . . . . . 0.779 ' N ' ' HB2' ' I' ' 8' ' ' SER . . . -64.6 -71.38 0.87 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 1.254 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.4 OUTLIER 161.69 -161.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.836 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.843 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 6.4 tp10 167.1 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.843 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 62.7 t -37.86 -83.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 65.2 79.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.542 ' CD2' ' HG3' ' J' ' 15' ' ' GLN . 15.1 t60 -173.51 172.67 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.542 ' HG3' ' CD2' ' J' ' 14' ' ' HIS . 55.5 mt-30 47.48 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 9.7 mptt 41.78 -137.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 3.1 mt -147.03 145.15 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 m -151.04 148.5 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 6.0 m-85 -156.33 154.83 31.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.388 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.7 OUTLIER 177.04 -176.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.477 . . . . 0.0 111.198 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.34 108.46 19.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.405 ' OE2' ' OE1' ' I' ' 22' ' ' GLU . 5.9 mm-40 -96.71 101.96 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.8 128.81 25.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.395 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.615 ' C ' ' H ' ' J' ' 26' ' ' SER . 4.8 m -61.89 -165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.534 ' N ' HG11 ' I' ' 24' ' ' VAL . . . -61.69 9.86 0.1 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.615 ' H ' ' C ' ' J' ' 24' ' ' VAL . 53.0 m -82.75 88.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.7 0.286 . . . . 0.0 110.581 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -118.14 163.63 16.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -114.34 135.98 53.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.465 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.6 93.74 1.49 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -168.73 -109.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.549 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.675 ' C ' HD12 ' J' ' 32' ' ' ILE . 12.4 pt -146.14 144.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.194 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.675 HD12 ' C ' ' J' ' 31' ' ' ILE . 5.3 mp -146.45 145.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.383 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.92 149.22 20.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -151.59 150.76 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.63 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.641 HG22 HG12 ' I' ' 36' ' ' VAL . 18.5 m -156.1 155.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.69 155.39 26.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.46 152.63 24.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.43 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 17.7 m -114.81 162.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.521 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' J' ' 39' ' ' VAL . 13.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.658 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.174 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.178 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 3' ' ' GLU . 83.4 m-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.3 -2.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 1' ' ' ASP . 4.7 pt-20 -179.35 -173.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -70.87 -140.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -172.74 100.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -105.34 -29.88 9.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . 2.3 m-20 -132.73 -72.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 1.166 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.7 OUTLIER -36.9 95.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.498 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . 60.3 68.05 1.86 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -157.85 157.3 32.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.78 150.98 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.354 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -124.96 155.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -177.81 141.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -173.01 -159.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.656 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 75.8 mt-30 -124.98 -162.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 24.1 mtpp 40.23 -103.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.3 143.53 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -151.31 148.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.612 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' CD2' ' B' ' 19' ' ' PHE . 1.5 p90 -155.96 154.73 31.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 49.7 m-85 -157.44 157.22 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' HD23 ' A' ' 34' ' ' LEU . . . -151.64 114.39 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.439 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -160.96 166.15 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 2.5 p30 -131.38 161.32 32.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.484 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -34.84 156.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 24' ' ' VAL . . . 48.2 -157.38 0.93 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -94.37 -169.78 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.472 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -78.26 113.87 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' ALA . 62.6 mttp -92.42 -156.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.82 68.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -156.13 -177.91 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -146.93 144.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.133 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 32' ' ' ILE . 27.6 pt -149.25 148.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.721 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.32 15.74 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -149.56 148.14 29.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.776 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ttp -146.54 144.0 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.239 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 m -148.43 147.54 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.19 152.18 23.79 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -112.18 133.02 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.539 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 t0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.74 175.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 64.18 46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.59 34.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -81.74 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -61.16 142.88 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' B' ' 6' ' ' HIS . 34.9 m-20 55.56 160.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 60.9 m -167.03 125.67 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.99 148.74 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' C' ' 10' ' ' TYR . 28.6 p90 -151.41 149.82 29.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 110.796 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 12.7 pt-20 -150.94 148.92 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' C' ' 13' ' ' HIS . 1.8 m -126.59 136.21 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -150.78 100.43 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' B' ' 15' ' ' GLN . 16.7 p80 -104.02 -142.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.563 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.639 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 30.1 tt0 -146.99 -90.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.602 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 mptp? -49.71 -86.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.2 pp -146.73 144.91 29.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.275 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.428 HG21 ' CB ' ' B' ' 14' ' ' HIS . 44.2 t -153.76 151.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.865 ' CZ ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.88 156.45 31.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.692 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 176.17 -175.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.213 0.53 . . . . 0.0 111.456 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 119.9 17.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.029 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' B' ' 20' ' ' PHE . 5.6 mp0 -98.67 140.06 33.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.161 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.729 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 29.2 t0 -152.46 118.01 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.166 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.31 -169.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.33 -89.96 1.63 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.404 ' N ' HG11 ' A' ' 24' ' ' VAL . 16.8 m -154.09 105.63 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.559 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.416 HD21 ' HG3' ' A' ' 28' ' ' LYS . 19.4 p-10 -78.24 127.77 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -101.13 -175.28 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.05 97.48 0.44 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -148.73 -170.82 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -144.64 143.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.433 ' H ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -145.82 143.67 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.468 ' C ' HD23 ' B' ' 34' ' ' LEU . . . -151.46 149.76 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.928 HD23 ' N ' ' B' ' 34' ' ' LEU . 0.9 OUTLIER -158.28 156.12 30.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' B' ' 35' ' ' MET . 4.1 ppp? -152.0 150.62 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.448 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.603 HG12 ' H ' ' C' ' 36' ' ' VAL . 25.1 m -152.35 152.03 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.6 151.67 23.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 148.52 19.82 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 87.2 t -125.46 150.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.564 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' C' ' 3' ' ' GLU . . . -81.2 154.53 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' C' ' 2' ' ' ALA . 20.5 mt-10 60.32 136.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -162.26 68.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -151.12 158.79 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' C' ' 6' ' ' HIS . 6.6 p-80 -82.51 169.86 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 t70 45.62 92.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 3.0 t -61.83 -31.12 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.11 69.76 1.24 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.605 ' CZ ' ' CD1' ' D' ' 10' ' ' TYR . 0.1 OUTLIER -149.93 147.08 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.435 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' B' ' 11' ' ' GLU . 4.0 pt-20 -150.52 148.93 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.845 HG23 HG23 ' D' ' 12' ' ' VAL . 2.0 m -119.48 99.67 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.689 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.557 ' C ' ' CD2' ' C' ' 14' ' ' HIS . 8.7 t60 -99.24 150.9 21.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.237 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.581 ' CE1' ' O ' ' D' ' 13' ' ' HIS . 0.0 OUTLIER -155.36 -173.26 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' C' ' 16' ' ' LYS . 3.4 tp-100 -131.72 -105.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.518 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' B' ' 16' ' ' LYS . 0.0 OUTLIER -39.4 -84.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.98 145.92 28.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' C' ' 14' ' ' HIS . 0.4 OUTLIER -150.2 149.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.561 ' C ' ' CD2' ' C' ' 19' ' ' PHE . 2.1 t80 -152.43 149.52 28.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.647 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 173.71 -172.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.473 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.0 113.38 16.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.214 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.438 ' OE1' ' OE2' ' D' ' 22' ' ' GLU . 1.1 mp0 -87.33 110.54 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -129.71 111.51 12.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.363 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.64 176.93 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.5 -87.16 1.24 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.7 m -157.57 121.08 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' C' ' 28' ' ' LYS . 10.3 t-20 -80.67 174.32 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.491 ' N ' ' OD1' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -129.05 164.35 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 91.67 0.61 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -150.76 -151.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.658 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -145.56 145.04 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -147.49 145.85 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.574 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -149.9 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.843 HD23 ' N ' ' C' ' 34' ' ' LEU . 0.6 OUTLIER -155.23 153.26 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' C' ' 35' ' ' MET . 4.2 ppp? -151.78 150.74 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.406 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.603 ' H ' HG12 ' B' ' 36' ' ' VAL . 32.8 m -152.12 151.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.625 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 150.11 21.9 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 148.09 19.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.44 HG12 ' N ' ' C' ' 40' ' ' VAL . 21.8 t -123.37 157.89 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.44 ' N ' HG12 ' C' ' 39' ' ' VAL . 7.7 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -27.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.61 171.2 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' D' ' 5' ' ' ARG . 14.4 p90 -165.07 -152.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.433 ' N ' ' CD1' ' D' ' 4' ' ' PHE . 11.0 tpt180 60.14 142.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' D' ' 7' ' ' ASP . 49.1 t-80 -70.54 156.82 38.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' D' ' 9' ' ' GLY . 61.2 t0 48.3 98.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.9 OUTLIER -67.29 7.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' D' ' 7' ' ' ASP . . . 64.54 68.81 1.52 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 1.003 ' O ' ' O ' ' E' ' 10' ' ' TYR . 0.8 OUTLIER -143.28 143.33 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.738 ' N ' ' CD1' ' D' ' 10' ' ' TYR . 0.0 OUTLIER -145.44 142.93 29.72 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.845 HG23 HG23 ' C' ' 12' ' ' VAL . 1.3 p -106.92 161.75 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.581 ' O ' ' CE1' ' C' ' 14' ' ' HIS . 59.3 t-80 -165.7 141.88 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' D' ' 15' ' ' GLN . 6.0 p80 -152.06 -142.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' D' ' 14' ' ' HIS . 14.6 tt0 -155.73 -78.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 11.8 tttp -70.67 -79.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.814 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.37 147.16 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.489 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.512 HG23 HG23 ' E' ' 18' ' ' VAL . 14.9 m -152.35 150.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 26.5 t80 -153.31 150.9 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.199 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.622 ' HZ ' HG21 ' D' ' 12' ' ' VAL . 13.8 p90 175.37 -174.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.184 0.516 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.17 121.78 24.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.372 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' D' ' 20' ' ' PHE . 33.8 mm-40 -98.39 119.94 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.735 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.488 ' CG ' ' ND2' ' D' ' 27' ' ' ASN . 34.8 t0 -137.94 117.46 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.396 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.514 HG12 ' H ' ' D' ' 25' ' ' GLY . 1.5 t -138.1 172.09 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.654 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.514 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 94.87 -97.16 2.11 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.525 ' H ' ' HA3' ' E' ' 25' ' ' GLY . 62.5 p -145.0 103.74 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.317 . . . . 0.0 110.575 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' CG ' ' D' ' 23' ' ' ASP . 1.7 m120 -81.49 171.07 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -104.16 160.88 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.64 100.76 2.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.945 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.23 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.82 144.06 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.137 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.59 147.79 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.483 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -150.91 149.46 21.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.483 HD12 ' C ' ' D' ' 33' ' ' GLY . 3.9 mp -149.27 147.4 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.551 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' E' ' 35' ' ' MET . 8.4 ptm -149.73 147.42 28.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.651 HG12 HG22 ' E' ' 36' ' ' VAL . 33.8 m -154.32 153.33 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.694 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.72 152.71 24.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.88 148.04 18.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -126.53 136.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.557 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.63 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 64.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -156.92 110.96 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -100.49 -32.16 10.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' E' ' 6' ' ' HIS . 9.5 ptt-85 -171.61 49.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 6' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' E' ' 6' ' ' HIS . 4.5 t-80 56.88 110.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' E' ' 7' ' ' ASP . 14.7 p-10 -167.48 138.43 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 8' ' ' SER . . . . . 1.184 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 4.4 t -159.6 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.79 -148.06 18.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 1.003 ' O ' ' O ' ' D' ' 10' ' ' TYR . 1.1 m-85 -154.67 153.34 31.17 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.746 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.0 OUTLIER -145.39 141.16 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.735 ' H ' ' H ' ' D' ' 12' ' ' VAL . 2.8 t -79.32 -73.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.587 ' O ' ' CG ' ' E' ' 13' ' ' HIS . 0.0 OUTLIER 62.25 125.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.655 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 14' ' ' HIS . . . . . 0.619 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 1.7 t60 177.8 -127.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.619 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 10.6 mm100 55.94 -116.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' D' ' 16' ' ' LYS . 6.2 mptt -82.33 -78.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.722 HD13 ' H ' ' E' ' 18' ' ' VAL . 0.1 OUTLIER -148.03 145.94 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.722 ' H ' HD13 ' E' ' 17' ' ' LEU . 2.6 p -151.15 148.89 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 2.6 m-85 -157.25 155.47 30.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.79 -170.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.95 107.32 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.5 mp0 -104.75 102.05 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -120.33 145.1 47.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' E' ' 26' ' ' SER . 2.7 p -65.32 161.61 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.54 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -42.3 -18.02 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' E' ' 24' ' ' VAL . 1.4 p -79.01 104.97 10.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.01 -176.1 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.605 ' HD2' ' H ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -101.98 139.61 37.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.78 101.59 2.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.837 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -173.49 -111.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.587 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 21.0 tt -145.75 145.02 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.137 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.4 HG21 HD13 ' E' ' 32' ' ' ILE . 1.8 mt -148.55 147.15 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.445 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.75 148.11 19.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -149.08 147.19 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -151.83 148.98 28.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.651 HG22 HG12 ' D' ' 36' ' ' VAL . 24.7 m -155.73 155.22 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.1 153.39 24.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.98 151.52 23.31 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.21 133.55 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.649 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.05 -112.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -110.03 -174.46 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -65.93 156.26 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 5' ' ' ARG . . . . . 0.646 HH12 ' H ' ' G' ' 9' ' ' GLY . 26.4 mtp180 -102.69 145.59 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 6' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' F' ' 7' ' ' ASP . 0.9 OUTLIER -151.87 -110.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 7' ' ' ASP . . . . . 0.597 ' N ' ' CG ' ' F' ' 6' ' ' HIS . 1.4 p30 -94.96 59.35 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.2 OUTLIER -173.27 -62.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -62.36 -66.33 2.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 11.7 t80 -63.0 -70.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.67 0.272 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.671 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 17.2 pt-20 -151.68 149.21 28.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' G' ' 11' ' ' GLU . 0.4 OUTLIER -103.18 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 13' ' ' HIS . . . . . 0.402 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -132.74 158.78 41.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.646 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.582 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 13.4 t-80 -154.92 -132.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.582 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.7 pt20 -172.25 164.66 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 mttt 57.0 -115.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.721 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.0 pp -149.89 146.52 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 1.034 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.1 p 165.39 -163.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.028 0.442 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 1.034 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.0 OUTLIER -147.94 148.87 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.05 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.744 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 18.0 m-85 -149.32 147.67 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.27 122.51 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.464 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' G' ' 23' ' ' ASP . 31.2 mp0 -88.94 112.8 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.584 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 12.3 t70 -152.66 99.08 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.752 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.667 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 0.6 OUTLIER -49.32 135.58 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.515 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.69 -161.79 23.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 2.5 t -95.02 176.43 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.498 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' F' ' 26' ' ' SER . 57.0 t-20 -71.17 112.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -88.32 -165.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' G' ' 28' ' ' LYS . . . -62.54 95.96 0.14 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.22 179.54 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mt -147.63 147.72 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 1.2 pt -141.07 140.39 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.981 ' H ' ' HA2' ' G' ' 33' ' ' GLY . . . -64.54 -72.73 0.66 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.895 ' HB2' ' O ' ' F' ' 33' ' ' GLY . 2.7 tp 153.79 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.37 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.606 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -164.12 162.22 22.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.684 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.55 148.17 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.192 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.83 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -63.58 -70.77 0.97 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 38' ' ' GLY . . . . . 1.073 ' HA3' ' H ' ' G' ' 38' ' ' GLY . . . 157.85 -156.12 27.05 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.42 HG13 ' H ' ' F' ' 39' ' ' VAL . 0.8 OUTLIER -77.59 149.18 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.556 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.422 ' OXT' ' O ' ' G' ' 40' ' ' VAL . 6.4 t . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.3 -171.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 3' ' ' GLU . . . . . 0.511 ' CG ' ' H2 ' ' H' ' 1' ' ' ASP . 41.5 mt-10 -81.67 -11.32 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' G' ' 5' ' ' ARG . 47.8 t80 51.77 175.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 5' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' G' ' 4' ' ' PHE . 64.0 mtp180 -74.39 18.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' G' ' 4' ' ' PHE . 5.6 t60 -76.86 124.91 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -84.22 76.06 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 3.3 m -55.31 -177.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' F' ' 9' ' ' GLY . . . -151.28 150.65 22.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -148.09 144.02 27.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 33.4 mt-10 -142.51 143.2 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.738 ' N ' ' HB2' ' H' ' 11' ' ' GLU . 4.7 t -109.88 135.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' H' ' 14' ' ' HIS . 0.6 OUTLIER -175.46 95.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.569 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.517 ' H ' ' HG3' ' H' ' 15' ' ' GLN . 4.8 m-70 -111.07 -139.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.671 ' O ' ' C ' ' G' ' 16' ' ' LYS . 47.7 mt-30 -132.26 -143.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.671 ' C ' ' O ' ' G' ' 15' ' ' GLN . 7.1 mttp -6.87 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.782 HD23 ' C ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -145.8 142.86 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.133 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' G' ' 14' ' ' HIS . 68.1 t -147.15 146.38 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.493 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -155.99 153.61 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 1.011 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 4.1 p90 171.8 -170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.469 . . . . 0.0 111.333 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 147.22 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.552 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.649 ' O ' ' O ' ' H' ' 23' ' ' ASP . 18.7 mp0 -112.39 124.1 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 21.0 t0 -157.07 99.02 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.348 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 15.5 m -90.51 -168.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.658 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.667 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 72.02 -106.9 2.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.3 t -151.0 135.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.58 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 26.4 t-20 -83.44 149.5 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -105.41 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 100.26 0.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 -162.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 110.76 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.458 ' C ' ' CG1' ' G' ' 32' ' ' ILE . 23.6 mt -143.7 143.25 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.95 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' F' ' 32' ' ' ILE . 1.7 mt -153.24 152.9 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.982 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.981 ' HA2' ' H ' ' F' ' 33' ' ' GLY . . . -144.22 143.02 11.6 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.773 ' O ' ' O ' ' F' ' 34' ' ' LEU . 4.7 mp -148.12 145.92 28.58 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' F' ' 35' ' ' MET . 10.5 ptp -150.44 146.87 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.218 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' F' ' 36' ' ' VAL . 11.1 m -145.68 146.89 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.508 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.83 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -152.26 149.02 20.63 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 38' ' ' GLY . . . . . 1.073 ' H ' ' HA3' ' F' ' 38' ' ' GLY . . . -153.61 153.45 24.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 85.6 t -86.28 123.82 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.422 ' O ' ' OXT' ' F' ' 40' ' ' VAL . 6.3 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 1' ' ' ASP . . . . . 0.511 ' H2 ' ' CG ' ' G' ' 3' ' ' GLU . 10.2 t70 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.4 136.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -172.89 133.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.523 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -177.93 37.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -102.46 -137.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 4.9 m80 -108.58 -173.68 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.68 -153.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 8.6 t 61.7 141.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 9' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' I' ' 9' ' ' GLY . . . -145.08 143.54 12.01 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.937 ' H ' ' HA ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -58.26 -72.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.708 -0.289 . . . . 0.0 110.761 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.1 pt-20 157.69 -155.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.953 ' HB ' ' H ' ' I' ' 13' ' ' HIS . 2.0 t 61.21 93.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' H' ' 14' ' ' HIS . 3.1 m-70 -120.25 -54.1 2.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' H' ' 13' ' ' HIS . 64.8 m-70 -161.22 136.04 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.565 ' NE2' ' H ' ' H' ' 17' ' ' LEU . 4.8 tm0? 172.16 156.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' I' ' 16' ' ' LYS . 51.3 mmtt -38.42 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.669 HD12 ' C ' ' H' ' 17' ' ' LEU . 1.0 OUTLIER -143.99 142.6 30.79 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.498 ' N ' HD12 ' H' ' 17' ' ' LEU . 2.5 p -150.59 149.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.694 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.597 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.0 OUTLIER -156.5 153.62 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.578 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 1.011 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 161.67 -160.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.436 ' H ' ' HB2' ' H' ' 20' ' ' PHE . . . -109.37 107.22 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.232 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.612 ' C ' ' OH ' ' H' ' 10' ' ' TYR . 2.0 mt-10 -81.01 105.71 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.649 ' O ' ' O ' ' G' ' 22' ' ' GLU . 9.4 t70 -138.42 106.62 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.803 HG22 ' H ' ' H' ' 25' ' ' GLY . 9.8 p -115.03 177.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.803 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 83.52 -72.22 2.87 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -153.11 167.14 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.691 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' G' ' 23' ' ' ASP . 0.9 OUTLIER -127.78 -177.27 4.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.465 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.1 OUTLIER -118.0 165.97 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.48 94.24 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.75 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -153.39 -121.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.631 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -145.54 144.29 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.18 148.93 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.409 . . . . 0.0 110.648 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.48 146.8 16.48 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.708 HD12 ' N ' ' H' ' 34' ' ' LEU . 1.5 mp -151.46 151.21 31.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.984 0.421 . . . . 0.0 110.713 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.554 ' SD ' ' N ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.29 147.74 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.356 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.589 HG22 HG12 ' G' ' 36' ' ' VAL . 34.9 m -151.3 150.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . -154.0 152.11 23.74 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.01 150.4 22.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -111.77 126.02 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.603 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.92 -101.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 47.13 -162.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 t80 56.38 78.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -164.94 -72.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.694 ' CG ' ' H ' ' I' ' 7' ' ' ASP . 46.9 t60 -155.85 -166.95 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 7' ' ' ASP . . . . . 0.694 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 14.0 m-20 -58.11 109.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 0.2 OUTLIER -60.75 -4.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 9' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . 64.45 69.0 1.45 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' J' ' 10' ' ' TYR . 15.4 m-85 -141.52 141.66 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.802 ' O ' ' O ' ' H' ' 11' ' ' GLU . 23.9 tt0 -148.13 144.01 27.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.087 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.84 HG22 ' H ' ' J' ' 12' ' ' VAL . 1.4 m -138.6 123.1 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.529 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.953 ' H ' ' HB ' ' H' ' 12' ' ' VAL . 0.0 OUTLIER 172.95 120.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.428 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.935 ' CG ' ' H ' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -106.95 -130.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.935 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 72.7 tp60 -122.97 -96.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' H' ' 16' ' ' LYS . 20.6 tttp -32.47 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.868 ' N ' ' NE2' ' I' ' 14' ' ' HIS . 2.3 pp -144.87 143.36 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.181 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.996 ' O ' HG21 ' J' ' 18' ' ' VAL . 2.3 p -147.6 145.2 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 9.7 t80 -150.06 147.49 27.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.653 ' N ' ' CD2' ' I' ' 19' ' ' PHE . 0.1 OUTLIER 173.5 -171.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 111.397 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 115.08 18.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.263 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' I' ' 22' ' ' GLU . 3.2 mp0 -87.99 108.27 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.11 111.75 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' I' ' 25' ' ' GLY . 1.4 p -145.06 162.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' I' ' 24' ' ' VAL . . . 117.04 -82.37 0.32 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -145.31 98.51 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.03 -174.5 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -138.95 167.92 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.58 99.59 2.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.75 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -152.42 -131.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -145.65 145.27 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.22 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.31 145.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.728 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.88 149.12 20.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.728 HD12 ' C ' ' I' ' 33' ' ' GLY . 2.6 mp -149.49 148.5 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -146.32 144.84 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.45 HG23 HG23 ' J' ' 36' ' ' VAL . 0.3 OUTLIER -152.92 151.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.374 . . . . 0.0 110.632 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 152.59 24.16 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.91 16.97 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.28 138.65 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.563 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' J' ' 3' ' ' GLU . . . -83.99 -98.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' J' ' 2' ' ' ALA . 47.9 tt0 59.95 121.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -165.64 -72.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -171.02 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -54.56 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 7' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' J' ' 8' ' ' SER . 1.0 OUTLIER 62.36 123.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 2.6 p 53.78 137.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 9' ' ' GLY . . . . . 0.507 ' N ' ' HB3' ' I' ' 8' ' ' SER . . . -60.51 -68.73 1.54 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' I' ' 10' ' ' TYR . 2.6 m-85 -156.29 155.79 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.696 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -153.48 150.57 28.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.84 ' H ' HG22 ' I' ' 12' ' ' VAL . 34.9 t 64.27 104.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.682 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.594 ' H ' ' CB ' ' I' ' 13' ' ' HIS . 7.8 t-80 -81.82 -120.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.535 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 61.6 m80 -162.48 70.16 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.495 ' H ' ' HD2' ' J' ' 16' ' ' LYS . 36.2 tp60 -176.24 57.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER -175.97 -167.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.855 ' O ' ' HB ' ' J' ' 18' ' ' VAL . 17.9 tp -145.89 144.41 30.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 1.01 HG22 ' H ' ' J' ' 19' ' ' PHE . 11.6 p 148.94 -146.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 1.01 ' H ' HG22 ' J' ' 18' ' ' VAL . 5.0 m-85 -156.29 153.68 29.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' J' ' 20' ' ' PHE . 0.0 OUTLIER -157.87 158.32 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.654 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.18 144.94 43.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -103.43 164.33 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -103.65 -111.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.678 HG22 ' N ' ' J' ' 25' ' ' GLY . 14.3 p -175.72 170.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 25' ' ' GLY . . . . . 0.678 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -58.5 -52.67 51.51 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -120.31 103.85 9.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -79.37 170.88 15.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.626 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.05 147.15 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.72 2.78 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.589 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -161.83 -115.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.71 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -147.47 146.94 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.279 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.71 146.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.69 150.05 21.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.55 150.06 30.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.72 145.26 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.221 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.621 HG21 ' CD2' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -151.82 151.46 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.776 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.02 149.68 21.43 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.16 148.61 20.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.55 156.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.66 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.54 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' 2PO . . . . . 1.166 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 101' ' ' 2PO . . . . . 1.184 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.557 ' HB3' ' H ' ' B' ' 25' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.505 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.678 ' HA2' ' HA3' ' B' ' 9' ' ' GLY . . . 62.95 68.35 1.7 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.772 ' H ' ' H ' ' B' ' 10' ' ' TYR . 0.4 OUTLIER 152.15 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' B' ' 11' ' ' GLU . 4.7 tt0 -147.43 144.93 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.101 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' HB ' ' H ' ' B' ' 12' ' ' VAL . 54.3 t -109.89 122.7 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -166.28 -174.52 2.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.724 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 2.0 t60 -168.42 -125.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.703 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 mt-30 -141.81 145.19 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.708 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' C ' ' NE2' ' B' ' 14' ' ' HIS . 68.2 mmtt 54.83 -76.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.48 146.92 28.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.194 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' PHE . 3.1 p -159.07 158.28 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.426 . . . . 0.0 110.99 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -152.95 152.45 31.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.429 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -151.71 148.35 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.474 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.917 ' HB2' HD23 ' B' ' 34' ' ' LEU . . . -156.43 108.43 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' H ' ' HB3' ' B' ' 22' ' ' GLU . 15.8 pt-20 174.84 167.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -80.24 125.62 30.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 117.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.69 -78.24 0.3 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 p -143.46 118.93 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.41 101.81 4.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -102.82 -161.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 76.71 0.02 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -153.97 175.32 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.386 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -145.78 143.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.244 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -147.83 146.69 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.47 151.21 23.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.75 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.4 pt? -154.09 151.29 29.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ttt -150.85 149.59 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.704 HG13 ' CE1' ' A' ' 19' ' ' PHE . 35.7 m -150.38 149.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.739 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 148.86 20.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.2 22.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' B' ' 39' ' ' VAL . 12.4 m -132.95 165.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.615 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.502 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' B' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 3' ' ' GLU . . . -169.67 88.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' B' ' 2' ' ' ALA . 64.0 mt-10 57.22 125.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -163.89 73.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -170.91 144.71 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -58.6 165.33 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' B' ' 9' ' ' GLY . 22.0 t70 48.01 29.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.424 ' O ' ' HA2' ' A' ' 9' ' ' GLY . 1.8 t 48.42 -85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.678 ' HA3' ' HA2' ' A' ' 9' ' ' GLY . . . 155.43 -152.32 23.82 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.772 ' H ' ' H ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -165.0 165.13 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.754 ' C ' HG23 ' B' ' 12' ' ' VAL . 2.1 pt-20 -153.23 152.25 30.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.718 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.754 HG23 ' C ' ' B' ' 11' ' ' GLU . 3.3 t 89.76 120.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.519 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.746 ' ND1' ' N ' ' B' ' 14' ' ' HIS . 0.0 OUTLIER 165.2 145.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.366 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.907 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 0.7 OUTLIER -173.62 -149.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.723 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.907 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 14.7 mm100 -130.43 -101.84 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' B' ' 15' ' ' GLN . 17.6 tttt -33.97 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.428 ' H ' ' HB3' ' B' ' 16' ' ' LYS . 6.0 tt -146.07 143.35 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.031 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' B' ' 20' ' ' PHE . 6.6 p -150.44 149.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.8 t80 -145.08 143.16 30.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.114 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' B' ' 19' ' ' PHE . 27.7 m-85 -146.61 144.83 29.81 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.94 106.69 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.613 ' H ' ' HB3' ' C' ' 22' ' ' GLU . 2.1 pt-20 174.88 142.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD2' ' O ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -68.36 140.93 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.714 HG13 ' N ' ' B' ' 25' ' ' GLY . 0.4 OUTLIER -82.94 179.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.676 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.714 ' N ' HG13 ' B' ' 24' ' ' VAL . . . 62.87 -95.59 0.13 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.523 ' O ' ' OD2' ' B' ' 23' ' ' ASP . 8.7 t -132.33 179.21 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.672 0.272 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 28' ' ' LYS . 14.1 t-20 -138.55 163.94 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.544 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 1.6 mmmm -128.43 -159.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 92.88 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.746 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -157.16 -172.32 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.491 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.795 ' C ' HD12 ' B' ' 32' ' ' ILE . 39.3 mt -144.74 143.58 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.254 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.795 HD12 ' C ' ' B' ' 31' ' ' ILE . 4.7 mp -146.71 144.7 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.2 149.85 21.71 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 1.053 HD12 ' N ' ' B' ' 35' ' ' MET . 0.2 OUTLIER -153.34 150.47 28.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 1.053 ' N ' HD12 ' B' ' 34' ' ' LEU . 8.6 ttt -147.48 146.29 29.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.693 ' H ' HG12 ' A' ' 36' ' ' VAL . 28.2 m -153.77 152.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.82 152.06 23.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.61 147.0 17.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 39' ' ' VAL . 2.4 p -124.34 126.86 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.546 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' C' ' 2' ' ' ALA . 13.4 t0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 1' ' ' ASP . . . -51.71 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.89 145.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.581 ' CD2' ' N ' ' C' ' 20' ' ' PHE . 3.4 t80 -150.75 147.3 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.119 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CE2' ' CD2' ' D' ' 20' ' ' PHE . 36.9 p90 -174.02 174.62 2.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 111.429 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' D' ' 32' ' ' ILE . . . -170.15 138.63 1.68 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.425 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.613 ' HB3' ' H ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER 174.25 160.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.941 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' D' ' 26' ' ' SER . 34.3 t70 -91.66 135.37 33.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.124 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.548 HG22 ' O ' ' D' ' 23' ' ' ASP . 0.6 OUTLIER -91.99 78.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.779 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 24' ' ' VAL . . . 173.29 -102.61 0.18 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -134.98 128.6 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.491 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' B' ' 27' ' ' ASN . 0.2 OUTLIER -78.45 101.64 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.47 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 30' ' ' ALA . 28.6 mtpt -78.56 -176.64 4.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.27 88.52 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' D' ' 28' ' ' LYS . . . -161.65 -175.72 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.562 ' H ' ' HA ' ' D' ' 30' ' ' ALA . 7.4 tt -143.31 144.3 23.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' D' ' 32' ' ' ILE . 0.1 OUTLIER -147.77 142.74 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.639 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -154.27 153.41 24.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 4.6 mp -154.2 151.94 29.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' B' ' 35' ' ' MET . 7.8 ttt -145.1 145.31 31.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.787 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 1.034 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -148.87 146.51 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.599 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.27 148.94 20.7 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . 0.71 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -148.54 147.23 17.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.0 147.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.518 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.613 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.548 HG22 HG12 ' E' ' 18' ' ' VAL . 3.7 m -146.31 146.04 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.62 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 2.6 t80 -152.89 148.6 27.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CE2' ' C' ' 20' ' ' PHE . 0.2 OUTLIER 165.96 -164.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 111.126 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.07 122.51 9.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.263 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -122.15 128.98 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.548 ' O ' HG22 ' C' ' 24' ' ' VAL . 0.0 OUTLIER -128.9 142.54 50.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.173 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.702 ' O ' ' N ' ' D' ' 26' ' ' SER . 6.3 p -50.15 164.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.685 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.637 ' N ' HG22 ' D' ' 24' ' ' VAL . . . -52.83 71.45 0.0 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.702 ' N ' ' O ' ' D' ' 24' ' ' VAL . 14.4 p -145.64 85.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.433 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.503 ' ND2' HD11 ' D' ' 31' ' ' ILE . 0.4 OUTLIER -97.42 104.68 16.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -98.17 -166.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.648 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -43.47 -174.23 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -31.56 113.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.224 . . . . 0.0 110.574 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.927 HG23 ' O ' ' E' ' 30' ' ' ALA . 1.5 pp -154.43 154.3 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.096 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.731 ' O ' ' HB ' ' C' ' 32' ' ' ILE . 84.0 mt 66.14 72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.831 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.719 ' O ' ' HB3' ' D' ' 34' ' ' LEU . . . -145.91 141.47 9.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 1.232 ' HB2' ' O ' ' E' ' 34' ' ' LEU . 1.0 OUTLIER 161.32 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.139 0.495 . . . . 0.0 111.228 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' I' ' 36' ' ' VAL . 2.0 ptm -158.58 157.78 32.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.483 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 1.034 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -152.87 153.19 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.556 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -154.54 152.56 24.11 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.71 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -152.88 150.9 22.76 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -122.01 153.41 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.64 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.548 HG12 HG22 ' D' ' 18' ' ' VAL . 10.7 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 47.5 m-85 -152.78 149.44 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' E' ' 19' ' ' PHE . 1.1 p90 161.71 -160.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.415 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.29 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.133 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -80.11 118.69 22.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 1.2 m-20 -135.11 114.26 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' E' ' 26' ' ' SER . 30.3 m -128.37 173.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.653 ' C ' HG11 ' D' ' 24' ' ' VAL . . . 65.02 -74.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.517 ' CA ' HG11 ' D' ' 24' ' ' VAL . 25.1 p -135.83 167.06 21.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.515 ' CG ' ' H ' ' E' ' 28' ' ' LYS . 5.8 t-20 -150.7 -174.29 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CG ' ' E' ' 27' ' ' ASN . 35.3 mttt -90.57 173.05 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.683 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -127.47 118.07 2.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 160.87 -105.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.936 ' HA ' ' O ' ' D' ' 30' ' ' ALA . 14.1 tt -143.5 141.61 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.854 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -146.0 145.08 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' E' ' 34' ' ' LEU . . . 162.75 -160.82 33.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 1.232 ' O ' ' HB2' ' D' ' 34' ' ' LEU . 1.1 pp 159.15 -159.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.668 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -147.03 145.16 29.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.302 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.665 ' O ' HG12 ' D' ' 36' ' ' VAL . 0.2 OUTLIER -153.74 153.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.818 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -152.73 150.77 22.61 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.52 147.77 18.44 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 40' ' ' VAL . 3.0 m -107.01 158.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 39' ' ' VAL . 84.5 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.541 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . 0.511 ' HA2' ' HA2' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' G' ' 10' ' ' TYR . 12.0 t80 -147.77 147.39 29.83 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 14.3 pt-20 -152.13 148.34 27.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.145 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.857 ' HB ' ' H ' ' G' ' 12' ' ' VAL . 69.7 t -111.4 136.34 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.34 155.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.651 ' H ' ' HB2' ' G' ' 15' ' ' GLN . 27.8 t60 -173.52 -137.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.571 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 8.0 pt20 -136.73 179.46 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.642 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.5 mttm 40.24 -101.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 144.22 29.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.22 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.451 ' O ' HG13 ' G' ' 18' ' ' VAL . 67.6 t -147.88 146.78 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' CG1' ' F' ' 36' ' ' VAL . 0.1 OUTLIER -153.89 150.88 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 1.007 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 37.7 m-85 -159.35 158.65 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 1.07 ' HB2' HD21 ' G' ' 34' ' ' LEU . . . -137.55 99.76 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.304 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 179.62 179.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' G' ' 23' ' ' ASP . 20.8 p-10 -110.33 151.88 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.45 HG22 ' H ' ' F' ' 24' ' ' VAL . 1.9 m -74.96 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 -78.49 1.59 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -153.27 164.02 38.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 9.1 t-20 -106.66 167.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.667 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 26.8 mmtp -128.48 -165.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.41 100.47 1.41 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.5 -163.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.673 0.273 . . . . 0.0 110.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -144.01 142.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 pt -152.61 150.32 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -149.14 148.51 19.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.838 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.2 146.58 28.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttt -148.13 145.65 28.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.577 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 2.8 m -147.58 146.79 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.547 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -150.71 147.75 18.15 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.65 156.96 27.76 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.41 133.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.619 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.61 -79.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.17 -169.62 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -136.83 -179.36 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -74.02 -178.75 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 53.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.57 133.66 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.907 ' H ' ' H ' ' H' ' 9' ' ' GLY . 0.4 OUTLIER -85.64 -25.21 26.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . 159.35 -156.35 27.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.6 OUTLIER -166.45 166.77 16.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' H' ' 11' ' ' GLU . 1.9 pt-20 -150.92 149.62 29.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.884 ' HB ' ' HA ' ' H' ' 12' ' ' VAL . 1.4 t 72.91 113.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.58 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.602 ' CE1' ' ND1' ' G' ' 14' ' ' HIS . 36.3 t-80 -134.13 -54.9 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.602 ' ND1' ' CE1' ' G' ' 13' ' ' HIS . 31.4 m80 -162.85 135.36 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' F' ' 14' ' ' HIS . 5.4 tt0 169.66 162.17 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.552 ' N ' ' CG ' ' G' ' 15' ' ' GLN . 0.0 OUTLIER -47.67 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.91 144.1 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.056 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.535 ' O ' HG23 ' H' ' 18' ' ' VAL . 30.4 t -152.28 151.37 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -157.68 154.49 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 1.007 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.0 OUTLIER 165.65 -165.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.71 118.78 32.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.31 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.64 130.83 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' F' ' 23' ' ' ASP . 18.8 t70 -154.47 114.13 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.05 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' H' ' 10' ' ' TYR . 14.7 m -89.36 -170.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.813 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.1 -109.77 2.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -143.13 137.95 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 41.7 t-20 -72.46 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.46 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 0.8 OUTLIER -105.37 167.04 10.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.79 89.96 0.09 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.22 -156.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -146.15 145.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.175 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.31 145.68 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.445 ' C ' ' HG ' ' G' ' 34' ' ' LEU . . . -151.97 149.0 20.64 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 1.07 HD21 ' HB2' ' F' ' 21' ' ' ALA . 0.0 OUTLIER -156.02 155.77 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.664 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -153.44 151.49 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.653 HG13 ' CE2' ' G' ' 19' ' ' PHE . 0.1 OUTLIER -148.83 148.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -149.04 146.78 16.57 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.35 147.89 18.71 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.98 137.22 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.548 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.94 177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' H' ' 4' ' ' PHE . 34.3 mt-10 42.85 51.63 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' H' ' 6' ' ' HIS . 15.2 t80 -47.82 178.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . 0.465 ' O ' ' ND1' ' H' ' 6' ' ' HIS . 74.3 mtt180 -40.55 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' H' ' 4' ' ' PHE . 59.0 m-70 -148.87 -159.32 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' H' ' 8' ' ' SER . 0.8 OUTLIER -138.19 -62.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.52 ' HA ' ' N ' ' G' ' 8' ' ' SER . 15.6 m 58.69 145.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -151.54 148.29 19.15 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' H' ' 9' ' ' GLY . 22.0 m-85 -152.41 150.59 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' G' ' 11' ' ' GLU . 64.1 tt0 -146.15 146.65 30.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.479 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.884 ' HA ' ' HB ' ' G' ' 12' ' ' VAL . 2.2 m -131.32 141.99 44.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.765 0.317 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.551 ' O ' ' C ' ' G' ' 13' ' ' HIS . 1.4 t-80 -167.06 132.37 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.543 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.1 OUTLIER -136.0 -168.01 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.611 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 38.2 tt0 -110.54 -95.72 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 22.4 tptt -41.1 -87.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.745 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.418 ' H ' ' HB3' ' H' ' 16' ' ' LYS . 2.4 pp -146.82 145.56 29.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.535 HG23 ' O ' ' G' ' 18' ' ' VAL . 1.2 p -147.49 145.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -153.93 151.07 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.389 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.806 ' H ' ' HB3' ' I' ' 20' ' ' PHE . 0.4 OUTLIER 174.47 -173.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 111.396 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.34 99.57 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.147 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.414 ' OE1' ' OH ' ' I' ' 10' ' ' TYR . 63.5 mm-40 -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 18.3 t0 -141.12 121.92 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -92.3 179.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.479 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 90.43 -112.18 4.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -148.06 161.75 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' G' ' 28' ' ' LYS . 9.6 t30 -80.29 175.81 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -137.28 169.63 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 92.85 0.86 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -156.99 -150.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.563 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 mt -145.42 144.8 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.173 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.01 145.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.803 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -148.05 145.74 14.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.803 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.4 mp -147.98 146.93 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.7 mtt -147.29 145.03 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -150.65 150.46 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.78 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.06 147.09 17.2 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.17 123.75 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -141.36 107.98 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' I' ' 6' ' ' HIS . 87.3 m-85 -79.25 171.45 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -60.57 74.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' I' ' 4' ' ' PHE . 15.4 m-70 -106.3 -169.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' I' ' 8' ' ' SER . 59.3 m-20 -80.51 -100.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.422 ' O ' ' O ' ' I' ' 7' ' ' ASP . 5.9 m 60.39 129.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.12 146.49 15.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.798 ' C ' ' O ' ' J' ' 10' ' ' TYR . 2.4 t80 -144.95 144.69 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' I' ' 10' ' ' TYR . 36.9 mt-10 -145.24 143.22 30.14 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.725 ' H ' ' N ' ' J' ' 12' ' ' VAL . 1.1 t -115.67 149.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.308 . . . . 0.0 110.434 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.747 ' CD2' ' H ' ' I' ' 14' ' ' HIS . 8.8 t-160 -153.68 172.56 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.546 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.841 ' CD2' ' H ' ' I' ' 15' ' ' GLN . 53.8 t60 -177.25 -174.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.841 ' H ' ' CD2' ' I' ' 14' ' ' HIS . 3.4 tp-100 -119.48 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' J' ' 16' ' ' LYS . 4.9 tmtt? -79.95 -77.0 0.2 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.931 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.0 pp -147.81 145.32 28.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.609 ' CG2' ' CE1' ' I' ' 20' ' ' PHE . 2.9 p -148.18 146.87 17.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.453 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.836 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -154.91 151.87 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.806 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.19 -168.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.94 146.08 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' J' ' 23' ' ' ASP . 3.5 mm-40 -125.23 110.75 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.638 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.518 ' OD1' ' ND2' ' J' ' 27' ' ' ASN . 25.5 t70 -135.87 117.2 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.198 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.404 ' H ' HG12 ' J' ' 24' ' ' VAL . 22.5 m -113.22 -175.95 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' H' ' 3' ' ' GLU . . . 89.34 -104.83 3.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -147.72 114.62 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' H' ' 23' ' ' ASP . 2.2 m-80 -75.12 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -106.05 170.12 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.28 102.96 1.99 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.755 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.4 -141.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.89 144.14 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -146.92 145.03 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.453 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -152.29 149.54 21.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 1.4 mp -153.63 152.77 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -149.17 148.06 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' D' ' 35' ' ' MET . 0.2 OUTLIER -149.57 147.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.345 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.32 152.34 23.99 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.24 147.64 18.23 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.743 HG22 HD11 ' E' ' 31' ' ' ILE . 5.3 p -123.87 127.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.312 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.5 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.83 121.51 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.43 -49.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' J' ' 4' ' ' PHE . 78.5 t80 -75.58 -1.06 22.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -73.38 -53.51 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . 0.539 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.4 p-80 -150.46 -175.82 5.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.64 114.15 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.78 -2.56 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.54 -165.63 38.78 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.798 ' O ' ' C ' ' I' ' 10' ' ' TYR . 0.7 OUTLIER -163.93 163.97 23.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.958 0.409 . . . . 0.0 110.965 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.655 ' O ' HG12 ' J' ' 12' ' ' VAL . 1.1 pm0 -154.41 151.87 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.331 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.725 ' N ' ' H ' ' I' ' 12' ' ' VAL . 0.4 OUTLIER 81.86 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 7.2 t-160 -149.0 42.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.9 t60 85.26 114.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' J' ' 16' ' ' LYS . 0.2 OUTLIER -167.35 178.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' I' ' 16' ' ' LYS . 63.2 mmtt -128.72 140.18 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.931 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 4.1 mm? 61.26 70.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.14 145.51 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.836 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 13.5 t80 -153.24 151.67 30.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -171.25 170.85 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.026 0.441 . . . . 0.0 111.216 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.04 104.36 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -86.63 102.9 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.629 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' I' ' 22' ' ' GLU . 53.3 t0 -135.22 119.37 17.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.404 HG12 ' H ' ' I' ' 24' ' ' VAL . 12.1 m -135.51 -174.1 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -93.55 1.78 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -137.13 117.35 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OD1' ' I' ' 23' ' ' ASP . 1.8 m120 -78.62 170.32 16.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -107.58 137.66 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.49 92.53 1.51 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.31 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.606 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -148.47 147.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' J' ' 32' ' ' ILE . 1.7 mt -147.27 146.72 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.97 151.36 23.09 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -154.35 153.95 32.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.701 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.32 146.39 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.443 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.11 153.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.565 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.09 156.16 26.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.67 149.97 21.8 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.24 135.68 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.567 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.88 153.05 24.56 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -149.43 148.08 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -152.48 150.57 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.1 154.9 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.574 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -177.05 126.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.7 t-80 -166.0 -150.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 mt-30 -134.24 -173.85 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 61.1 mttm 50.02 -103.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -146.81 145.07 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.258 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -148.96 147.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -152.88 151.28 30.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.868 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 30.9 m-85 -157.65 157.15 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.32 109.76 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.418 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.03 175.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.704 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 21.5 p-10 -108.23 142.87 37.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.42 107.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.534 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.74 -97.06 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -138.23 123.5 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' OD1' ' OD1' ' A' ' 23' ' ' ASP . 3.2 m-80 -88.51 131.67 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -93.97 -165.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 92.58 0.3 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.21 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.492 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -146.91 145.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -148.84 147.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.37 149.69 21.5 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.03 149.29 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 tpt -148.8 146.45 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 HG22 ' B' ' 36' ' ' VAL . 11.8 m -149.62 149.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.659 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 148.87 20.48 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.07 151.67 23.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p -120.7 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.594 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' OXT' HG22 ' A' ' 40' ' ' VAL . 6.1 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.4 -143.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.57 124.33 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -165.16 95.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.466 ' O ' ' CD2' ' B' ' 6' ' ' HIS . 17.6 ttm180 -151.37 -42.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' B' ' 5' ' ' ARG . 30.4 m80 -154.26 177.75 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.95 165.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.618 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -143.36 135.05 26.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -155.29 154.35 25.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 13.5 m-85 -149.22 147.63 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.26 147.52 28.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -113.75 140.71 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -148.83 166.37 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.482 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.612 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 6.3 t-80 -174.05 -149.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.612 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 61.8 mt-30 -148.35 -32.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 6.1 mptp? -111.0 -85.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.43 144.87 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.231 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.505 ' CG2' ' CG ' ' B' ' 14' ' ' HIS . 71.8 t -151.59 150.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.59 156.73 28.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.868 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.06 -168.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 111.315 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 117.11 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.181 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -91.55 129.71 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 18.8 t70 -144.89 111.2 5.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.185 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -178.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.625 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 -96.41 2.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -157.4 116.23 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -74.75 158.81 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 175.56 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.26 95.56 0.3 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -147.48 -160.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.39 144.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.204 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -146.75 145.05 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.77 151.49 23.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.83 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.7 pt? -159.3 158.53 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 12.4 ttt -150.94 149.06 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.328 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 36' ' ' VAL . 32.2 m -150.59 150.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.06 151.03 22.88 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.14 20.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' VAL . 92.6 t -103.98 117.89 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.476 HG12 ' OXT' ' B' ' 40' ' ' VAL . 89.3 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.99 107.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.73 0.3 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 2.4 p -149.41 146.86 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -156.77 155.08 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.604 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 172.32 -171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 111.172 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.28 124.01 41.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.24 118.32 31.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -140.46 106.65 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.458 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.5 OUTLIER -117.94 173.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.458 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.26 -82.78 1.16 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -155.63 136.34 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 61.8 t30 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.634 ' HD3' ' H ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -136.31 157.07 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.69 88.62 1.57 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -154.11 -138.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.731 0.3 . . . . 0.0 110.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 mt -145.33 144.31 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.41 145.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.429 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.732 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -149.62 147.28 17.43 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 ' C ' ' C' ' 33' ' ' GLY . 2.9 mp -148.96 147.59 28.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.424 ' C ' HG13 ' C' ' 36' ' ' VAL . 20.3 mtm -148.64 146.59 28.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.371 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.738 HG12 HG22 ' D' ' 36' ' ' VAL . 33.9 m -153.6 153.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.728 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.49 151.75 23.47 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.94 18.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.2 147.45 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' C' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.595 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.699 0.285 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.36 148.94 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.612 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 11.6 t80 -152.92 149.82 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.226 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.538 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 176.27 -175.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.092 0.473 . . . . 0.0 111.33 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.42 127.48 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.437 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -101.0 117.45 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.15 112.8 9.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -122.92 -175.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.44 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 90.37 -99.78 2.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 115.41 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.0 159.83 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.492 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.564 ' CD ' ' N ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -108.28 159.37 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.67 102.31 1.19 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.973 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -157.4 -140.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.537 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -144.83 143.88 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -147.24 145.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.71 18.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mp -148.67 147.05 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' E' ' 35' ' ' MET . 11.2 ttt -149.64 146.87 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.738 HG22 HG12 ' C' ' 36' ' ' VAL . 33.4 m -154.04 153.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.69 153.16 24.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.14 19.11 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.93 130.66 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.586 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 29.3 t80 -151.99 149.26 28.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.282 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -163.91 163.31 23.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.29 98.41 6.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.321 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -79.96 98.21 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -126.34 119.33 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.637 HG12 ' H ' ' E' ' 25' ' ' GLY . 2.6 t -150.67 172.42 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.637 ' H ' HG12 ' E' ' 24' ' ' VAL . . . 100.92 -83.91 0.53 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -141.11 115.6 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.408 ' H ' ' HE2' ' D' ' 28' ' ' LYS . 2.8 m-80 -96.14 -178.57 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.68 144.18 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.24 101.01 2.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -165.66 -114.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.479 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -146.11 145.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -147.46 146.1 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 148.68 20.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.26 148.93 29.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.486 ' O ' HG13 ' E' ' 36' ' ' VAL . 15.5 ptt? -152.88 149.95 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.532 HG22 HG12 ' D' ' 36' ' ' VAL . 21.2 m -157.18 156.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.0 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.05 150.61 22.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.44 128.75 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.604 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -150.31 148.49 28.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 147.24 28.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.52 152.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.695 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.559 ' HB3' ' HD1' ' G' ' 13' ' ' HIS . 28.5 p-80 -176.88 147.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.63 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 0.8 OUTLIER -173.6 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.63 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.3 mm100 -139.2 -178.87 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 56.4 mttp 42.9 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 15' ' ' GLN . 2.2 pp -146.62 144.86 29.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.268 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.96 145.63 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' F' ' 34' ' ' LEU . 3.4 p90 -149.57 147.47 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.833 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 28.9 m-85 -153.37 152.47 31.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.48 100.87 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 178.93 174.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' G' ' 27' ' ' ASN . 22.6 p-10 -102.23 146.78 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' G' ' 24' ' ' VAL . 1.0 OUTLIER -69.03 159.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.86 -95.72 2.12 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -140.16 160.35 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.597 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 4.4 t-20 -85.05 165.81 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.499 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 0.6 OUTLIER -129.97 -171.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.42 89.38 0.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' ND2' ' G' ' 27' ' ' ASN . . . -157.16 -165.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -146.0 144.16 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.155 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 pt -150.92 149.72 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.728 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 148.96 20.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.797 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -150.37 148.61 29.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' F' ' 36' ' ' VAL . 22.7 ttm -149.62 146.25 27.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.288 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.511 HG11 ' CZ ' ' F' ' 19' ' ' PHE . 19.4 m -151.62 152.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.796 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.96 149.59 21.32 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.98 22.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.67 134.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.582 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.87 179.26 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.7 120.11 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -59.96 -173.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.622 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . 0.474 ' H ' ' HE ' ' G' ' 5' ' ' ARG . 0.7 OUTLIER -56.8 108.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . 0.504 ' H ' ' CD2' ' H' ' 6' ' ' HIS . 91.8 m-70 -140.74 -179.02 5.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.2 89.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -105.95 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . 0.507 ' C ' ' CG ' ' G' ' 10' ' ' TYR . . . -158.83 156.86 27.9 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.1 OUTLIER -153.73 154.14 33.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.63 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -151.96 149.36 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.418 ' O ' HG23 ' G' ' 12' ' ' VAL . 7.9 m -118.32 108.32 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.559 ' HD1' ' HB3' ' F' ' 13' ' ' HIS . 0.9 OUTLIER -121.45 91.77 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.764 ' ND1' ' N ' ' G' ' 15' ' ' GLN . 42.2 t-80 -128.26 161.24 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.537 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.764 ' N ' ' ND1' ' G' ' 14' ' ' HIS . 9.5 mt-30 -101.66 -158.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 20.2 mmtp 39.0 -104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 145.08 30.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.499 HG12 HG22 ' H' ' 18' ' ' VAL . 3.7 p -152.47 150.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' G' ' 36' ' ' VAL . 0.5 OUTLIER -158.51 156.23 29.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.581 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.833 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 167.45 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 0.0 111.221 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.13 16.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.097 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.02 134.62 40.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' H' ' 23' ' ' ASP . 15.0 t70 -148.92 119.92 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.252 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 3.9 m -84.98 176.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.656 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.65 -123.11 6.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.97 153.14 46.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.529 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.535 ' N ' ' OD2' ' F' ' 23' ' ' ASP . 61.3 t30 -81.85 160.68 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -175.75 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.49 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 90.29 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.802 ' C ' HD12 ' G' ' 31' ' ' ILE . . . -152.02 -168.05 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.595 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.802 HD12 ' C ' ' G' ' 30' ' ' ALA . 4.6 mp -146.46 145.65 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.214 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.69 146.24 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 147.61 18.16 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.783 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.1 pt? -153.07 150.71 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.543 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -152.65 150.59 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.588 HG12 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -153.06 153.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.689 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 149.99 21.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 148.31 19.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.458 HG12 HG23 ' G' ' 40' ' ' VAL . 67.9 t -106.38 126.75 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.544 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.458 HG23 HG12 ' G' ' 39' ' ' VAL . 87.8 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.87 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.492 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.27 92.93 9.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.25 -97.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -98.49 97.28 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.514 ' C ' ' H ' ' H' ' 8' ' ' SER . 57.1 m80 -148.37 92.89 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.58 35.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.514 ' H ' ' C ' ' H' ' 6' ' ' HIS . 69.8 m -65.08 171.99 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.91 153.92 25.14 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' G' ' 10' ' ' TYR . 74.9 t80 -146.89 145.43 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.686 0.279 . . . . 0.0 110.338 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' I' ' 13' ' ' HIS . 14.4 tt0 -148.5 147.09 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.528 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.19 148.8 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' I' ' 13' ' ' HIS . 36.9 t60 -168.39 132.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.678 ' H ' ' NE2' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -160.46 -155.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.779 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.541 ' O ' ' C ' ' H' ' 16' ' ' LYS . 28.4 mt-30 -132.5 -158.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.559 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 3.7 tttp 26.65 -94.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' H' ' 15' ' ' GLN . 5.3 tt -147.57 145.36 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.402 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' H' ' 14' ' ' HIS . 38.1 t -150.18 147.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.682 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -157.09 155.38 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.714 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER 173.15 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.213 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.37 122.39 39.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.318 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 3.1 mp0 -97.55 111.35 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' G' ' 23' ' ' ASP . 46.5 t0 -135.67 111.82 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.416 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.93 179.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 87.09 -114.16 4.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 67.4 p -142.23 129.84 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' H' ' 28' ' ' LYS . 49.6 t30 -70.15 -178.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.545 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -138.65 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.7 92.17 0.79 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -150.59 -154.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.65 144.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.208 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.98 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -153.77 150.97 22.75 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.833 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -157.33 156.48 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' H' ' 35' ' ' MET . 4.6 ppp? -149.62 149.08 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.588 ' H ' HG12 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.69 147.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.63 148.77 20.3 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.78 148.14 19.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.98 141.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.532 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -80.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.96 86.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -82.51 46.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -159.01 151.89 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 4.5 p80 -102.15 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p30 179.21 -169.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.855 ' O ' ' N ' ' J' ' 8' ' ' SER . 68.4 m 59.32 159.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -166.65 163.59 37.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' J' ' 10' ' ' TYR . 44.4 m-85 -147.58 149.25 32.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.658 0.266 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' J' ' 11' ' ' GLU . 0.9 OUTLIER -146.83 143.7 28.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.851 ' H ' ' N ' ' J' ' 12' ' ' VAL . 14.3 m -115.16 107.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.666 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' H' ' 13' ' ' HIS . 9.7 m170 -40.28 -102.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' I' ' 15' ' ' GLN . 7.8 p80 178.19 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.678 ' NE2' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER 85.58 169.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' I' ' 15' ' ' GLN . 8.1 mmtp -20.58 -84.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.507 HD12 ' O ' ' J' ' 17' ' ' LEU . 66.4 tp -146.37 144.02 29.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.242 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -147.65 146.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 13.0 t80 -152.6 149.29 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.714 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 10.5 p90 175.11 -173.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.164 0.507 . . . . 0.0 111.373 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.47 126.33 47.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.64 117.94 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.692 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 9.6 t0 -142.06 113.38 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.371 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.435 HG22 HG12 ' J' ' 24' ' ' VAL . 4.0 m -124.78 -173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.17 -98.14 2.34 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -146.81 114.79 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.88 177.76 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -126.46 166.12 17.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.39 97.32 1.8 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.48 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.659 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 49.0 mt -145.1 144.62 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.9 145.2 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.837 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.92 148.55 19.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.837 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.8 mp -150.64 149.39 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.573 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -148.02 146.45 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' H' ' 36' ' ' VAL . 0.0 OUTLIER -148.75 147.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.536 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.4 149.12 20.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 149.75 21.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.13 119.91 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' J' ' 40' ' ' VAL . 87.6 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.608 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.27 34.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.05 41.82 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -140.88 -79.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -46.06 166.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' J' ' 6' ' ' HIS . 25.7 m-70 -60.1 -120.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' I' ' 8' ' ' SER . 12.2 m-20 51.98 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.855 ' N ' ' O ' ' I' ' 8' ' ' SER . 0.0 OUTLIER -35.79 159.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.69 73.07 0.58 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' I' ' 10' ' ' TYR . 27.1 t80 -149.24 146.85 27.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -144.56 140.69 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.851 ' N ' ' H ' ' I' ' 12' ' ' VAL . 1.8 t -64.43 -65.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.583 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.675 ' H ' HG23 ' I' ' 12' ' ' VAL . 3.5 t-160 60.84 97.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 18.3 m80 -169.59 -172.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.544 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.556 ' O ' ' C ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER 48.69 170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' J' ' 15' ' ' GLN . 25.7 mmtp 23.91 -117.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.714 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.507 ' O ' HD12 ' I' ' 17' ' ' LEU . 66.6 tp -148.47 145.98 28.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' J' ' 20' ' ' PHE . 83.0 t -150.22 148.58 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 10.2 t80 -155.26 153.24 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.622 ' HB3' ' H ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER 172.58 -171.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 111.172 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.34 111.14 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -88.79 88.7 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.6 115.29 25.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.364 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.435 HG12 HG22 ' I' ' 24' ' ' VAL . 4.1 m -138.76 -176.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.06 -89.88 1.56 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 55.1 p -143.62 117.17 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.728 HD22 ' H ' ' J' ' 28' ' ' LYS . 0.3 OUTLIER -92.59 169.14 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.728 ' H ' HD22 ' J' ' 27' ' ' ASN . 0.1 OUTLIER -105.78 153.85 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 105.73 3.15 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.699 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.03 -120.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.623 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' J' ' 31' ' ' ILE . 19.0 pt -146.74 145.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.26 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.66 146.41 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.449 ' O ' HD22 ' J' ' 34' ' ' LEU . . . -151.13 148.56 19.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.632 HD13 ' H ' ' J' ' 35' ' ' MET . 0.1 OUTLIER -149.94 148.98 29.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.51 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.67 145.54 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.2 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.442 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.44 153.44 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.76 153.58 24.9 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.71 148.87 20.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 m -123.92 147.64 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' I' ' 40' ' ' VAL . 48.2 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 10' ' ' TYR . . . -151.01 148.67 20.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.703 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER 161.26 -158.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.111 0.481 . . . . 0.0 110.9 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' H ' ' B' ' 11' ' ' GLU . 10.7 pt-20 -146.35 147.08 30.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.752 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -114.72 147.52 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.933 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.674 ' CA ' ' HA ' ' B' ' 14' ' ' HIS . 4.2 p80 -165.87 130.9 2.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.714 ' ND1' ' CE1' ' B' ' 14' ' ' HIS . 10.8 m80 -157.46 -148.03 0.2 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.591 ' N ' ' HA ' ' B' ' 15' ' ' GLN . 57.7 mt-30 -128.55 162.37 27.41 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 1.047 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 10.3 ptpp? -25.02 140.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.432 ' O ' ' CB ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER 155.1 -151.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 179.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.04 ' HB ' HG13 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -164.68 166.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.919 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.6 t80 178.22 -179.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 111.014 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' C' ' 34' ' ' LEU . 54.0 m-85 -172.58 171.62 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.85 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' B' ' 21' ' ' ALA . . . -173.5 -146.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.5 pm0 -160.63 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.614 ' CB ' ' H ' ' B' ' 27' ' ' ASN . 3.6 t0 -47.18 88.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' VAL . 3.9 p -52.46 124.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.5 -52.24 0.71 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -154.18 163.27 40.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.39 104.66 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 11.1 tptp -97.32 -148.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 28' ' ' LYS . . . -65.31 88.73 0.1 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' B' ' 30' ' ' ALA . . . -157.59 135.8 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.422 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 1.382 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 1.5 mm -70.68 -64.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.798 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.376 ' CG2' ' H ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 152.01 -147.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.146 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 1.376 ' H ' ' CG2' ' A' ' 32' ' ' ILE . . . 155.37 -156.98 27.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.049 ' N ' ' HB3' ' B' ' 34' ' ' LEU . 15.6 tp -146.61 145.07 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 1.315 ' CA ' ' O ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -146.21 147.0 31.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.443 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.052 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER 68.02 70.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' B' ' 37' ' ' GLY . . . -139.35 137.71 8.77 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.715 ' HA2' HD22 ' F' ' 34' ' ' LEU . . . 152.84 -149.25 20.82 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.706 ' O ' ' O ' ' B' ' 38' ' ' GLY . 26.4 t -102.4 160.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 15.2 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.673 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 -101.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.49 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -66.02 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 6' ' ' HIS . 67.3 mtp85 -80.21 -116.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 5' ' ' ARG . 4.8 m-70 49.75 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.74 145.2 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.55 86.66 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -151.8 149.96 21.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' TYR . 31.8 m-85 -141.2 141.45 34.06 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.908 ' O ' HG12 ' B' ' 12' ' ' VAL . 18.3 tt0 -64.71 -72.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.106 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.908 HG12 ' O ' ' B' ' 11' ' ' GLU . 7.9 p 119.43 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 110.381 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.76 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 52.6 t-80 -105.97 160.28 15.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.591 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.714 ' CE1' ' ND1' ' A' ' 14' ' ' HIS . 3.1 t60 175.9 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.424 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.61 ' O ' ' O ' ' B' ' 14' ' ' HIS . 29.2 mt-30 -53.51 -145.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.191 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 1.047 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 22.6 tttp -136.86 -34.05 0.75 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.573 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 1.432 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.9 mm? -66.31 -70.87 0.22 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.223 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 1.279 ' CB ' ' HB ' ' C' ' 18' ' ' VAL . 0.7 OUTLIER -141.05 140.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 121.985 -0.447 . . . . 0.0 110.246 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 1.081 ' CE2' ' CE2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -65.88 -77.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.919 ' CD2' ' HB3' ' A' ' 19' ' ' PHE . 1.1 m-85 155.37 -151.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 1.154 ' HA ' ' CE1' ' C' ' 20' ' ' PHE . . . -147.23 117.7 7.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -169.74 123.73 0.77 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 5.2 p-10 -93.78 167.01 11.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.065 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.414 HG22 ' H ' ' B' ' 24' ' ' VAL . 2.7 m -73.53 155.23 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 -92.37 0.17 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.523 ' CB ' ' OD2' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -147.43 156.01 42.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.652 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.614 ' H ' ' CB ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -127.52 89.32 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.589 ' H ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.29 98.36 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.067 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.612 ' HA3' HD13 ' C' ' 31' ' ' ILE . . . -126.13 -137.45 4.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 1.027 ' N ' ' O ' ' C' ' 30' ' ' ALA . . . -128.73 -72.4 0.61 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.576 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 1.382 ' HB ' ' CB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -146.51 146.0 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.477 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 1.283 HG23 ' O ' ' B' ' 31' ' ' ILE . 1.9 pp 146.99 -146.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 1.099 ' O ' HD22 ' B' ' 34' ' ' LEU . . . 63.93 72.11 0.74 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.382 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 1.099 HD22 ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER 177.62 -178.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 0.0 111.103 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 1.315 ' O ' ' CA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER 175.65 -171.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.282 0.563 . . . . 0.0 111.457 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.71 ' N ' ' HG3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -156.17 148.88 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.221 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' A' ' 37' ' ' GLY . . . -138.91 141.1 11.55 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.706 ' O ' ' O ' ' A' ' 39' ' ' VAL . . . -60.26 -77.42 0.18 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.456 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.958 HG22 ' H ' ' C' ' 40' ' ' VAL . 1.4 m -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.964 0.411 . . . . 0.0 110.975 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.625 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.18 -56.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.95 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 1.279 ' HB ' ' CB ' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.04 -78.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 1.029 ' H ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER 69.59 70.88 0.24 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.025 -179.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 1.154 ' CE1' ' HA ' ' B' ' 21' ' ' ALA . 5.1 p90 -63.24 -73.76 0.11 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.872 0.367 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 1.022 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . 162.37 -156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' D' ' 22' ' ' GLU . 0.3 OUTLIER 171.91 104.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' C' ' 24' ' ' VAL . 0.7 OUTLIER -88.74 168.24 12.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.524 HG22 ' H ' ' C' ' 26' ' ' SER . 2.1 p -35.54 143.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.604 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.54 -49.97 6.98 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.524 ' H ' HG22 ' C' ' 24' ' ' VAL . 26.5 m -85.6 102.99 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.665 ' ND2' ' N ' ' C' ' 28' ' ' LYS . 1.6 t30 -109.63 168.34 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.665 ' N ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -127.82 89.53 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 -175.65 43.92 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 1.027 ' O ' ' N ' ' B' ' 30' ' ' ALA . . . -72.6 -26.65 61.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 1.171 ' O ' HG23 ' D' ' 31' ' ' ILE . 9.3 tp 150.68 -152.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.993 ' O ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -148.78 143.97 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 1.029 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -149.48 151.1 23.27 Favored Glycine 0 N--CA 1.46 0.281 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.526 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 1.142 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -141.98 137.45 31.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 1.043 ' HA ' ' HB2' ' B' ' 35' ' ' MET . 1.3 tmt? -143.94 144.99 31.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.895 ' O ' ' HE3' ' B' ' 35' ' ' MET . 1.8 p 158.06 -154.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 155.76 -156.16 26.82 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . 1.15 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -151.41 148.09 18.76 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.205 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.7 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 1.5 t -108.29 119.11 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.287 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.958 ' H ' HG22 ' B' ' 39' ' ' VAL . 41.5 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.57 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 1.147 ' O ' HG13 ' D' ' 18' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.234 0.287 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 1.147 HG13 ' O ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 172.71 -173.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 119.918 -0.713 . . . . 0.0 112.208 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 1.108 ' CE1' ' HB3' ' E' ' 21' ' ' ALA . 0.0 OUTLIER 72.76 69.77 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.041 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 1.254 ' CA ' ' HB2' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -146.83 140.06 25.49 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 1.047 ' H ' ' HA ' ' E' ' 21' ' ' ALA . . . 112.41 98.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.692 ' H ' ' CG2' ' E' ' 32' ' ' ILE . 0.1 OUTLIER 75.81 176.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.507 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.919 ' HA ' ' CG ' ' E' ' 22' ' ' GLU . 0.0 OUTLIER -116.85 -154.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.625 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.12 61.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.432 ' HA3' HD21 ' E' ' 27' ' ' ASN . . . 147.48 -22.61 1.52 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.698 ' OG ' ' N ' ' E' ' 29' ' ' GLY . 0.0 OUTLIER -157.32 175.79 13.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.745 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.94 ' HB3' ' C ' ' E' ' 31' ' ' ILE . 76.8 m-20 -156.57 -115.7 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 1.333 ' N ' ' H ' ' E' ' 31' ' ' ILE . 20.8 mtpt -179.8 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.542 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 1.155 ' C ' ' HB ' ' E' ' 31' ' ' ILE . . . -34.1 -125.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.262 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 1.265 ' C ' HG12 ' E' ' 31' ' ' ILE . . . -112.92 36.69 3.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 1.171 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.3 tp 53.34 68.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.964 ' CG1' ' H ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER 161.41 -163.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.347 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.964 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 69.67 71.49 0.99 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.536 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 1.245 HD22 ' N ' ' D' ' 35' ' ' MET . 0.1 OUTLIER -143.75 139.55 29.49 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 1.245 ' N ' HD22 ' D' ' 34' ' ' LEU . 1.7 mpt? -152.89 152.13 31.16 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.888 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.7 OUTLIER -172.29 172.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.003 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' C' ' 37' ' ' GLY . . . 63.74 68.2 1.75 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 1.15 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -63.85 -72.37 0.7 Allowed Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.822 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.7 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 0.1 OUTLIER -120.12 152.29 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 110.715 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.487 ' OXT' ' O ' ' C' ' 40' ' ' VAL . 87.2 t . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.695 ' O ' ' CD1' ' E' ' 19' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.458 -0.061 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 1.136 ' C ' ' CD2' ' E' ' 20' ' ' PHE . 1.0 OUTLIER 159.06 -152.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.709 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 1.136 ' CD2' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 52.5 67.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.026 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 1.254 ' HB2' ' CA ' ' D' ' 20' ' ' PHE . . . -171.51 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . 0.919 ' CG ' ' HA ' ' D' ' 23' ' ' ASP . 1.0 OUTLIER -166.7 -170.45 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.913 -178.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.556 ' O ' ' CD ' ' E' ' 22' ' ' GLU . 3.1 p30 -96.76 -155.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.494 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' E' ' 26' ' ' SER . 28.9 m -74.51 -153.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.372 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.49 43.78 0.34 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.432 ' N ' ' O ' ' E' ' 24' ' ' VAL . 7.5 t -145.61 115.7 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.688 ' HB2' ' HG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -152.08 160.3 43.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.461 ' N ' ' OG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -147.04 97.83 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.819 ' HA3' ' O ' ' D' ' 27' ' ' ASN . . . 174.3 -165.68 37.33 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.808 ' C ' HD12 ' E' ' 31' ' ' ILE . . . -131.97 -10.0 3.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.662 0.268 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 1.333 ' H ' ' N ' ' D' ' 28' ' ' LYS . 3.8 mp -161.94 159.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.432 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.742 ' O ' ' O ' ' D' ' 32' ' ' ILE . 0.9 OUTLIER -151.55 151.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 110.958 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.718 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -146.16 142.24 10.36 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' D' ' 34' ' ' LEU . 0.4 OUTLIER -145.03 145.48 31.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 1.191 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.4 OUTLIER -143.56 140.9 30.45 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 1.191 HG13 ' O ' ' E' ' 35' ' ' MET . 0.3 OUTLIER 159.86 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 121.153 0.502 . . . . 0.0 110.432 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.77 ' HA2' ' H ' ' D' ' 37' ' ' GLY . . . 160.14 -160.68 31.88 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.379 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' D' ' 39' ' ' VAL . . . -151.23 150.29 22.21 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 40' ' ' VAL . 2.3 m -92.6 114.02 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 39' ' ' VAL . 3.0 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.6 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' OE2' ' F' ' 22' ' ' GLU . 0.4 OUTLIER -152.78 151.07 30.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.5 148.59 29.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.22 96.09 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 8.3 t-80 -107.51 111.2 23.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 32.4 m-70 -164.16 -173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.424 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 6.7 mt-30 -139.92 -168.55 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 61.9 tttt 63.55 -117.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.1 pp -152.46 149.65 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.184 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 1.039 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.5 p 170.69 -170.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.062 0.458 . . . . 0.0 111.263 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 1.039 ' H ' HG22 ' F' ' 18' ' ' VAL . 1.1 p90 -151.01 151.57 32.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.077 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.91 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 34.1 m-85 -152.73 150.59 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.12 110.41 22.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CD2' ' F' ' 10' ' ' TYR . 1.5 tp10 -82.79 106.94 15.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -141.42 104.34 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' G' ' 25' ' ' GLY . 6.3 m -74.52 145.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.57 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.79 -106.79 3.4 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -155.39 157.82 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -78.01 123.99 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -81.49 -172.7 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.08 89.42 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.1 179.41 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 1.5 mt -147.61 146.17 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.333 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.76 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 2.1 pp -145.04 144.24 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.261 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.889 ' O ' ' HB2' ' F' ' 34' ' ' LEU . . . -158.89 155.96 27.02 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 1.009 ' HB3' ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER 150.03 -150.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 1.176 ' O ' ' CA ' ' G' ' 35' ' ' MET . 19.4 mtm -154.16 150.55 28.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.256 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.404 HG21 ' CG ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -148.59 150.2 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.731 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . 66.45 71.12 0.96 Allowed Glycine 0 C--O 1.224 -0.485 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . 1.091 ' O ' ' HA3' ' G' ' 38' ' ' GLY . . . -146.43 142.05 10.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 1.014 ' HA ' ' H ' ' G' ' 39' ' ' VAL . 2.9 m -128.44 -110.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.913 0.387 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 31' ' ' ILE . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.67 166.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -88.34 -154.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -152.15 160.47 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 59.56 -135.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . 0.51 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.0 OUTLIER -156.81 -144.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . 0.51 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 19.4 t70 56.2 103.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' G' ' 7' ' ' ASP . 5.2 m -167.25 149.45 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . 0.508 ' C ' ' CD1' ' G' ' 10' ' ' TYR . . . -158.98 157.13 28.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.667 ' CE1' HG11 ' G' ' 24' ' ' VAL . 10.3 m-85 -151.09 150.61 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.74 150.7 30.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' OH ' ' H' ' 10' ' ' TYR . 16.2 m -119.9 144.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' G' ' 14' ' ' HIS . 22.4 t-80 -154.71 155.2 34.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.465 ' N ' ' CG ' ' G' ' 13' ' ' HIS . 0.1 OUTLIER -167.51 -157.15 0.22 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -133.17 -100.81 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' H' ' 16' ' ' LYS . 3.6 tttm -40.45 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -143.38 141.52 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.59 147.52 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.853 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.2 OUTLIER -158.76 156.84 30.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.91 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 170.75 -169.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' H' ' 34' ' ' LEU . . . -119.44 111.68 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.448 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' G' ' 22' ' ' GLU . 1.0 OUTLIER -93.91 106.8 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.568 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' G' ' 23' ' ' ASP . 0.3 OUTLIER -134.2 121.3 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.461 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.69 ' N ' HG11 ' H' ' 24' ' ' VAL . 32.0 m -90.6 -171.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.443 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 64.44 -86.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -158.7 160.28 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 110.539 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -69.18 170.8 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.85 139.16 35.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.651 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' H' ' 28' ' ' LYS . . . -75.53 83.49 0.89 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -163.28 -134.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.417 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 24.0 mt -142.19 140.74 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 1.011 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 4.8 mp -145.48 144.05 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' F' ' 34' ' ' LEU . . . -145.1 143.02 11.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 1.009 ' O ' ' HB3' ' F' ' 34' ' ' LEU . 0.3 OUTLIER -146.91 145.04 29.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.711 -179.6 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 1.227 ' O ' ' HB3' ' H' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.45 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.823 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 1.204 HG13 ' O ' ' G' ' 35' ' ' MET . 1.0 OUTLIER 151.99 -149.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.732 ' O ' ' N ' ' F' ' 38' ' ' GLY . . . 64.14 69.6 1.29 Allowed Glycine 0 C--O 1.221 -0.684 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . 1.091 ' HA3' ' O ' ' F' ' 38' ' ' GLY . . . 147.17 -142.81 10.62 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 1.014 ' H ' ' HA ' ' F' ' 39' ' ' VAL . 90.9 t -86.3 -82.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.941 0.4 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.72 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.7 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.541 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -167.81 99.59 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' H' ' 4' ' ' PHE . 18.0 p90 -132.63 63.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' H' ' 5' ' ' ARG . 3.7 mmp_? -71.8 154.46 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.439 ' HD1' ' C ' ' H' ' 6' ' ' HIS . 4.6 t-80 -84.99 -48.3 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.69 136.19 38.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m -170.23 120.53 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.26 17.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.469 ' CZ ' HG12 ' H' ' 12' ' ' VAL . 48.2 t80 -147.55 145.88 29.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 110.413 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.64 147.95 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.506 HG22 HG12 ' I' ' 12' ' ' VAL . 3.1 m -130.34 153.16 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.998 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.53 ' C ' ' CG ' ' H' ' 14' ' ' HIS . 16.8 p80 -176.81 128.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.555 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -157.95 -155.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' H' ' 16' ' ' LYS . 1.7 tp-100 -125.06 -161.3 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.838 ' HB2' ' O ' ' G' ' 16' ' ' LYS . 12.0 mptt 36.04 -101.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.82 142.39 29.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.951 ' O ' HG21 ' I' ' 18' ' ' VAL . 51.9 t -151.79 148.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.766 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.766 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -159.02 159.21 34.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.718 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' H' ' 19' ' ' PHE . 0.2 OUTLIER 177.62 -177.94 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.138 0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.92 149.7 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.364 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -126.27 115.31 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.478 ' C ' HG22 ' H' ' 24' ' ' VAL . 7.3 t0 -129.97 117.44 20.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.69 HG11 ' N ' ' G' ' 24' ' ' VAL . 0.0 OUTLIER -161.23 94.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.468 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.07 -96.52 0.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 38.0 p -141.52 84.7 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.747 ' H ' ' NZ ' ' H' ' 28' ' ' LYS . 5.6 p30 -161.33 93.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.747 ' NZ ' ' H ' ' H' ' 27' ' ' ASN . 2.4 mptp? -140.56 84.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . 168.21 69.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.581 ' O ' ' HB1' ' G' ' 30' ' ' ALA . . . 175.74 -140.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' I' ' 31' ' ' ILE . 8.0 mt -145.54 144.85 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.111 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 1.011 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 2.9 mt -145.76 144.87 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.356 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.874 ' C ' HD23 ' H' ' 34' ' ' LEU . . . -153.77 150.02 21.61 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.874 HD23 ' C ' ' H' ' 33' ' ' GLY . 0.0 OUTLIER -146.67 147.2 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 1.227 ' HB3' ' O ' ' G' ' 35' ' ' MET . 0.1 OUTLIER -151.69 149.45 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.359 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 1.16 ' H ' ' CG2' ' G' ' 36' ' ' VAL . 0.4 OUTLIER -171.1 167.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 111.659 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.654 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . 63.62 68.22 1.75 Allowed Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.737 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 1.053 ' O ' ' CA ' ' I' ' 38' ' ' GLY . . . -161.18 158.56 30.24 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 1.152 ' O ' HG12 ' I' ' 39' ' ' VAL . 2.6 t -57.12 -87.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.581 -0.364 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.914 ' N ' HG12 ' H' ' 39' ' ' VAL . 1.8 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' I' ' 1' ' ' ASP . 11.1 p-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -134.5 74.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' I' ' 2' ' ' ALA . 48.3 mt-10 58.85 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -146.26 -68.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . 0.527 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 44.3 ttp180 -153.65 102.28 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.461 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' I' ' 5' ' ' ARG . 29.4 m-70 -145.41 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.35 -96.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m 63.8 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' I' ' 10' ' ' TYR . . . -149.77 146.92 16.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' J' ' 10' ' ' TYR . 32.3 m-85 -145.27 145.15 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.338 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' J' ' 11' ' ' GLU . 7.0 pt-20 -150.31 148.4 28.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.545 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.535 HG22 HG12 ' J' ' 12' ' ' VAL . 3.0 m -137.92 144.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' I' ' 14' ' ' HIS . 27.2 p80 -157.52 163.88 37.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.5 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.4 OUTLIER 80.97 -152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' H ' ' H' ' 14' ' ' HIS . 2.2 mt-30 64.74 142.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' J' ' 16' ' ' LYS . 37.0 tttp -81.29 -58.95 2.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 1.172 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.3 pp -149.49 145.83 27.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 1.016 HG22 ' H ' ' I' ' 19' ' ' PHE . 3.7 p 159.99 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 1.016 ' H ' HG22 ' I' ' 18' ' ' VAL . 19.3 t80 -160.16 159.37 31.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER -149.76 149.85 31.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.228 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.13 115.96 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.469 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -103.98 105.26 15.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.668 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -123.98 124.63 43.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.845 HG12 ' H ' ' I' ' 25' ' ' GLY . 21.4 t -148.43 179.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.845 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 95.98 -93.75 1.58 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -146.31 110.53 5.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 6.9 m-20 -90.87 177.18 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.455 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.619 ' HB2' ' HB3' ' J' ' 30' ' ' ALA . 0.0 OUTLIER -83.26 -179.73 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.07 100.71 0.83 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.912 ' N ' ' HB1' ' J' ' 30' ' ' ALA . . . -179.64 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 1.122 ' H ' ' N ' ' J' ' 31' ' ' ILE . 30.7 mt -155.0 153.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-O 120.933 0.397 . . . . 0.0 110.78 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.62 HG23 ' O ' ' H' ' 31' ' ' ILE . 0.1 OUTLIER -151.41 151.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.209 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.984 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -156.59 153.52 24.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.984 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -158.23 157.78 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.447 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' J' ' 35' ' ' MET . 7.2 ttt -176.16 175.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.471 . . . . 0.0 111.234 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 1.028 HG13 ' O ' ' I' ' 35' ' ' MET . 0.0 OUTLIER 163.57 -162.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.574 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' J' ' 37' ' ' GLY . . . 59.94 68.87 1.47 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . 1.305 ' N ' ' O ' ' J' ' 37' ' ' GLY . . . -167.37 164.63 38.05 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 1.26 ' O ' HG12 ' J' ' 39' ' ' VAL . 9.7 p -27.07 -96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.643 0.259 . . . . 0.0 110.367 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 1.111 ' N ' HG13 ' I' ' 39' ' ' VAL . 11.1 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.05 118.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -156.27 0.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.53 -172.6 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 44.71 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -55.22 -74.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.92 109.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.86 36.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . 0.576 ' HA2' ' H ' ' I' ' 10' ' ' TYR . . . -155.51 155.92 26.61 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' I' ' 10' ' ' TYR . 1.6 t80 -60.3 -70.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.624 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 2.2 tp10 -153.72 154.26 33.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' J' ' 12' ' ' VAL . 26.1 m -131.96 95.43 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.452 ' H ' ' CD2' ' J' ' 13' ' ' HIS . 6.4 m-70 -82.19 179.93 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.5 t60 76.06 135.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -141.51 -0.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' I' ' 16' ' ' LYS . 49.2 tttp -71.04 83.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 1.172 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 22.5 mt 60.28 69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' J' ' 19' ' ' PHE . 19.5 m -154.31 150.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' J' ' 18' ' ' VAL . 9.6 m-85 -149.53 149.78 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.307 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' J' ' 12' ' ' VAL . 0.2 OUTLIER -147.62 145.37 28.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.282 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.03 112.03 23.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.32 98.77 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.468 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' CB ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -144.76 154.37 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.887 HG23 ' H ' ' J' ' 26' ' ' SER . 5.0 m -60.42 -177.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.88 -6.37 0.12 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.887 ' H ' HG23 ' J' ' 24' ' ' VAL . 8.7 t -93.85 83.99 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.486 ' CB ' ' OD2' ' J' ' 23' ' ' ASP . 6.5 t-20 -173.93 -142.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.472 ' H ' ' CG ' ' J' ' 27' ' ' ASN . 84.0 mttt -62.99 96.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.443 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.671 ' O ' ' HB ' ' J' ' 32' ' ' ILE . . . -145.47 -167.09 12.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 1.046 ' O ' HG22 ' J' ' 31' ' ' ILE . . . -21.95 136.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.604 0.24 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 1.122 ' N ' ' H ' ' I' ' 31' ' ' ILE . 14.1 tt 59.23 69.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.206 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.671 ' HB ' ' O ' ' J' ' 29' ' ' GLY . 0.3 OUTLIER -162.93 161.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.811 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.525 ' N ' HG23 ' J' ' 32' ' ' ILE . . . -150.72 151.13 23.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.666 ' CB ' ' HA ' ' I' ' 34' ' ' LEU . 0.1 OUTLIER -159.77 156.52 27.74 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.151 0.501 . . . . 0.0 110.22 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 1.207 ' O ' HG22 ' J' ' 36' ' ' VAL . 0.0 OUTLIER 162.83 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.536 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 1.207 HG22 ' O ' ' J' ' 35' ' ' MET . 1.3 m 75.42 72.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 1.305 ' O ' ' N ' ' I' ' 38' ' ' GLY . . . -143.13 136.58 7.12 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . 0.985 ' O ' ' O ' ' J' ' 39' ' ' VAL . . . 149.04 -148.58 20.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 1.26 HG12 ' O ' ' I' ' 39' ' ' VAL . 0.8 OUTLIER -2.64 -134.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.15 0.475 . . . . 0.0 110.76 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 1.071 ' N ' HG13 ' J' ' 39' ' ' VAL . 89.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.546 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.788 ' O ' ' O ' ' B' ' 9' ' ' GLY . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.878 0.37 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.59 -65.91 2.75 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.795 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 3.4 p90 -153.24 149.63 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.841 ' H ' ' H ' ' B' ' 11' ' ' GLU . 69.3 mm-40 -155.46 156.6 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.937 ' O ' ' HB ' ' B' ' 12' ' ' VAL . 6.5 t 95.99 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 13.1 p80 -129.44 163.67 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 33.9 m80 -164.2 -118.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.688 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 7.7 pt20 -179.8 161.78 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' B' ' 14' ' ' HIS . 79.0 mttt 58.86 -105.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.541 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.44 144.3 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 19' ' ' PHE . 5.4 p 176.08 -174.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.944 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -159.33 158.12 31.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -157.52 156.36 31.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD21 ' B' ' 34' ' ' LEU . . . -149.94 107.74 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.512 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' B' ' 22' ' ' GLU . 1.4 pt-20 176.57 158.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 1.6 t70 -81.6 139.66 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 3.2 p -76.77 155.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -57.43 4.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -147.68 164.9 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -131.1 104.52 7.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' B' ' 27' ' ' ASN . 8.3 ptpt -142.71 96.31 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.79 -178.25 19.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -69.29 -78.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.2 mt -147.68 146.83 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.29 146.85 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 149.05 20.84 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.84 150.06 29.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.71 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 tpt -149.23 146.59 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.312 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 15.7 m -150.84 150.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.1 149.05 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 150.64 22.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' B' ' 39' ' ' VAL . 3.3 m -123.77 135.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.618 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' VAL . 8.8 p . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.86 -76.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -112.17 158.18 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' B' ' 4' ' ' PHE . 6.6 p90 -136.63 -167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 59.48 154.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -73.43 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.57 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.66 135.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.788 ' O ' ' O ' ' A' ' 8' ' ' SER . . . -149.27 148.61 20.14 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.795 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 40.6 m-85 -145.41 143.09 29.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.392 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.841 ' H ' ' H ' ' A' ' 11' ' ' GLU . 40.5 tt0 -146.62 147.04 30.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.937 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.0 m -109.2 160.05 8.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.53 ' H ' ' HA ' ' A' ' 13' ' ' HIS . 2.0 t60 -165.83 147.23 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.688 ' CE1' ' H ' ' A' ' 15' ' ' GLN . 5.6 t60 -168.99 -165.54 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.646 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 30.4 tt0 -131.26 -119.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.433 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' B' ' 15' ' ' GLN . 6.0 mptp? -20.92 -83.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.88 145.91 27.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.208 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.466 HG21 ' ND1' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -151.58 150.99 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -147.19 146.07 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.264 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.948 ' O ' ' HB2' ' C' ' 20' ' ' PHE . 51.1 m-85 -150.21 148.07 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.656 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 22' ' ' GLU . . . -149.57 122.83 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER 171.55 172.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.742 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' C' ' 27' ' ' ASN . 2.2 p30 -110.8 148.39 32.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.482 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' C' ' 25' ' ' GLY . 1.4 m -81.05 166.27 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.18 -88.98 1.37 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' C' ' 26' ' ' SER . 6.3 p -149.71 175.95 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' B' ' 28' ' ' LYS . 1.8 t30 -123.16 151.03 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 36.9 mttt -111.11 -169.98 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.654 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.08 91.63 0.16 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.886 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -148.42 -174.04 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.88 142.8 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.19 144.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.72 151.43 23.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -167.04 166.21 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.075 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptm -153.58 152.36 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' C' ' 36' ' ' VAL . 33.6 m -151.53 150.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.33 151.46 23.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.15 147.39 17.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' A' ' 39' ' ' VAL . 2.7 p -123.42 145.92 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.621 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.415 ' OXT' ' O ' ' A' ' 40' ' ' VAL . 5.6 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' C' ' 2' ' ' ALA . 12.2 p-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' C' ' 1' ' ' ASP . . . 48.75 21.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 18' ' ' VAL . 2.1 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 17' ' ' LEU . 41.9 t -155.68 154.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.586 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -161.8 159.89 27.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.948 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER 163.47 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.06 121.55 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.415 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -120.76 136.9 54.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.09 142.28 26.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.646 HG22 ' N ' ' C' ' 25' ' ' GLY . 3.8 p -75.55 166.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.646 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 73.28 -165.73 54.75 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 26' ' ' SER . 13.5 p -101.46 161.21 13.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' B' ' 23' ' ' ASP . 22.7 t-20 -77.52 133.66 38.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' D' ' 26' ' ' SER . 2.0 mmmt -87.94 177.06 7.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.33 92.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.19 -162.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.67 144.69 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' D' ' 32' ' ' ILE . 13.0 mt -148.43 146.98 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.605 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.579 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.72 146.11 15.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.791 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.3 OUTLIER -149.9 149.82 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.693 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -150.33 147.65 27.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.666 HG22 HG12 ' B' ' 36' ' ' VAL . 31.0 m -151.29 150.86 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.74 149.63 21.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.36 148.35 19.47 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 40' ' ' VAL . 11.0 m -116.44 149.57 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 39' ' ' VAL . 21.9 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.802 0.334 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.439 HG12 HG12 ' E' ' 18' ' ' VAL . 1.4 p -150.17 149.76 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.883 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 54.8 t80 -152.74 149.82 28.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' E' ' 20' ' ' PHE . 6.1 p90 174.35 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.474 . . . . 0.0 111.249 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.21 124.51 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -113.61 116.25 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.793 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -141.89 129.76 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.149 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' C' ' 24' ' ' VAL . 2.9 m -94.67 -169.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.539 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.551 ' O ' HG13 ' C' ' 24' ' ' VAL . . . 64.81 -169.7 25.59 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.487 ' HB2' ' HZ3' ' C' ' 28' ' ' LYS . 5.0 p -92.51 132.59 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.473 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.42 -179.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.507 ' H ' ' HD3' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -125.67 162.55 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.38 92.59 0.5 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.932 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -153.34 -148.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.546 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mt -145.6 145.11 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.481 ' O ' HG23 ' C' ' 32' ' ' ILE . 5.0 mt -148.57 147.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.426 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -149.04 147.07 17.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.426 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.56 147.91 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.425 ' C ' HG13 ' D' ' 36' ' ' VAL . 25.1 ptm -149.51 147.42 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.4 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.573 ' H ' HG12 ' C' ' 36' ' ' VAL . 32.4 m -153.76 152.93 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.38 153.1 24.58 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.3 147.43 17.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.71 135.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 110.555 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.537 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.439 HG12 HG12 ' D' ' 18' ' ' VAL . 11.8 m . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.834 0.349 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.883 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 18.9 m-85 -159.33 157.76 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.61 -170.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.54 100.6 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.529 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CE2' ' E' ' 20' ' ' PHE . 13.7 mt-10 -101.58 90.92 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -134.22 151.67 51.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.87 172.25 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.435 ' H ' HG22 ' D' ' 24' ' ' VAL . . . 72.35 -134.05 20.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -127.63 171.67 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.62 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.0 170.1 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.493 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -124.02 72.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.22 160.97 23.39 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.932 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -84.33 -17.92 37.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.401 HG21 HD13 ' E' ' 31' ' ' ILE . 14.5 pt -149.93 146.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' E' ' 32' ' ' ILE . 5.5 mm -148.38 146.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.325 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.23 148.61 20.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -151.53 149.29 29.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' E' ' 36' ' ' VAL . 1.5 ptt? -151.95 149.96 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.483 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.466 HG22 HG12 ' D' ' 36' ' ' VAL . 20.4 m -156.1 155.36 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.44 153.84 25.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.95 151.6 23.37 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.35 160.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.603 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 60.9 m-85 -63.45 -70.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.415 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.799 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 5.5 pt-20 -150.35 147.43 27.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.119 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' GLU . 7.4 p -101.44 129.43 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.711 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 20.7 p80 -168.26 -173.53 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 3.9 m80 -177.05 -6.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.498 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.5 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 20.4 mt-30 63.02 167.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 59.91 -117.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 1.099 ' O ' HG13 ' F' ' 18' ' ' VAL . 2.2 pp -148.81 145.21 27.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.014 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 1.099 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER 164.83 -162.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.059 0.456 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.785 ' HD2' ' H ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -153.7 152.84 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.46 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.851 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 20.6 m-85 -155.46 154.38 31.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 120.08 36.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' G' ' 23' ' ' ASP . 12.0 mp0 -86.34 122.86 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.659 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 25.3 t0 -149.66 102.83 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 4.6 p -50.39 143.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.09 -164.04 40.74 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 p -96.51 167.03 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -74.89 132.14 41.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' F' ' 30' ' ' ALA . 43.8 mmtt -84.49 -161.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.473 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.19 77.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' F' ' 28' ' ' LYS . . . -151.42 -168.72 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.415 HG21 HD13 ' F' ' 31' ' ' ILE . 10.7 mt -146.06 144.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -149.58 148.16 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.633 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.69 20.15 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.577 ' O ' HD12 ' F' ' 34' ' ' LEU . 0.3 OUTLIER -151.28 148.95 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.578 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -149.61 147.93 28.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 0.5 OUTLIER -147.89 147.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.567 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.21 149.18 20.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.03 157.05 27.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -128.65 140.59 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.635 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.76 -54.73 11.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -103.11 22.11 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 43.21 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -79.68 107.25 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -78.13 -100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.8 32.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -75.89 172.74 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.79 148.75 20.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' F' ' 10' ' ' TYR . 4.3 p90 -151.28 148.45 28.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.528 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 0.799 ' H ' ' HA ' ' F' ' 11' ' ' GLU . 9.3 mt-10 -148.34 148.54 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.258 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' H' ' 12' ' ' VAL . 3.6 t -97.21 146.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.591 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -164.67 87.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -108.73 -152.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -135.23 -78.95 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 20.1 mtpp -74.54 -82.0 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -146.63 145.07 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.444 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.64 146.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.73 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -156.48 155.09 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 20.9 p90 168.23 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.96 152.91 37.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.581 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.641 ' HB3' ' H ' ' H' ' 23' ' ' ASP . 26.4 tt0 -118.05 100.58 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.659 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 32.5 t0 -126.42 100.1 6.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.264 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.443 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.6 m -123.76 -169.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.518 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 84.95 -82.94 1.65 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.8 m -154.82 107.46 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -83.54 119.47 24.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -92.11 -174.67 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.41 100.81 0.56 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -152.37 -164.98 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 mt -145.69 144.88 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.197 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.33 145.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.77 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.897 ' N ' HD23 ' G' ' 34' ' ' LEU . 1.1 pt? -155.08 153.26 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.758 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mtm -148.79 148.25 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.316 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.469 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.02 147.07 17.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.21 148.21 19.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.25 142.21 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 110.529 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.512 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 -48.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.52 140.55 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -156.15 -27.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -85.3 95.84 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 0.0 OUTLIER -61.68 -9.04 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.625 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -50.31 -32.67 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -52.9 149.2 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' H' ' 10' ' ' TYR . . . -153.55 151.87 23.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 0.1 OUTLIER -151.96 152.07 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.759 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 0.551 ' OE1' ' ND1' ' H' ' 13' ' ' HIS . 4.8 tm-20 -156.46 153.68 29.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.639 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' G' ' 12' ' ' VAL . 1.5 m -112.36 119.72 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.629 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.551 ' ND1' ' OE1' ' H' ' 11' ' ' GLU . 1.0 OUTLIER -68.31 -140.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' CD2' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -134.73 151.89 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.68 ' H ' ' CE1' ' I' ' 14' ' ' HIS . 0.2 OUTLIER 176.12 105.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' I' ' 16' ' ' LYS . 8.7 tttt 31.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.2 pp -145.39 143.24 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.646 HG13 HG23 ' I' ' 18' ' ' VAL . 0.2 OUTLIER -148.22 146.58 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.484 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.9 OUTLIER -156.11 152.87 28.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.741 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.609 ' HB3' ' H ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 168.29 -166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.77 108.89 12.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.272 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -86.55 101.3 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.64 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.641 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 37.7 t0 -124.97 117.04 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.639 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -121.02 -176.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -92.31 1.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -153.79 132.26 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -81.32 178.07 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -132.02 165.78 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 97.08 1.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -157.72 -144.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.545 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 mt -145.86 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.271 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.04 145.51 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.483 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.863 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.27 147.48 17.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.863 HD12 ' C ' ' H' ' 33' ' ' GLY . 6.0 mp -149.2 148.41 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.514 ' C ' HG12 ' H' ' 36' ' ' VAL . 21.1 ttt -149.03 145.98 27.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.187 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.514 HG12 ' C ' ' H' ' 35' ' ' MET . 0.5 OUTLIER -158.49 157.8 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.823 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.483 ' N ' HG23 ' H' ' 36' ' ' VAL . . . -157.15 156.63 27.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.79 148.82 20.38 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.61 145.64 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.553 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -80.89 148.03 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' I' ' 2' ' ' ALA . 23.8 mt-10 58.72 152.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.593 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.49 -120.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -138.59 -10.7 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 1.5 m80 -98.98 -167.56 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' CE1' ' J' ' 10' ' ' TYR . 4.6 m-20 -74.6 138.44 42.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.449 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.695 ' H ' ' N ' ' J' ' 9' ' ' GLY . 4.1 t -89.28 25.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.12 70.06 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' J' ' 10' ' ' TYR . 77.0 t80 -142.55 141.8 32.09 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 5.9 pt-20 -152.35 149.05 28.21 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.495 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' J' ' 12' ' ' VAL . 5.9 m -129.34 120.55 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -141.73 97.57 3.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' I' ' 15' ' ' GLN . 60.1 t-80 -108.2 170.41 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.806 ' N ' ' ND1' ' I' ' 14' ' ' HIS . 7.6 tt0 -90.58 -105.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' H' ' 16' ' ' LYS . 6.8 mmtt -34.45 -90.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.764 HD23 ' C ' ' I' ' 17' ' ' LEU . 0.7 OUTLIER -147.66 145.68 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.538 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.646 HG23 HG13 ' H' ' 18' ' ' VAL . 14.7 p -147.33 145.83 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.549 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 3.0 t80 -153.87 150.5 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.334 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.584 ' CD1' ' OE2' ' I' ' 22' ' ' GLU . 0.3 OUTLIER 175.15 -173.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.054 0.454 . . . . 0.0 111.305 179.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.28 124.41 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.584 ' OE2' ' CD1' ' I' ' 20' ' ' PHE . 9.3 mp0 -99.45 103.82 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.428 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 56.5 t0 -122.52 115.45 22.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.469 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.639 HG13 ' H ' ' H' ' 24' ' ' VAL . 0.3 OUTLIER -140.8 -163.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.569 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 77.73 -80.9 1.29 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -149.01 109.43 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.428 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -84.54 173.04 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 156.7 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.63 87.73 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.888 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -146.94 -123.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.591 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 31' ' ' ILE . 38.7 mt -145.26 144.03 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.244 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' I' ' 32' ' ' ILE . 2.3 mt -147.04 145.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.827 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.7 148.86 20.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.827 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.7 mp -150.32 149.89 30.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.442 ' C ' HG13 ' I' ' 36' ' ' VAL . 50.5 mtt -150.94 147.71 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.512 HG12 HG22 ' J' ' 36' ' ' VAL . 18.3 m -154.35 154.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.65 152.07 23.73 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.12 149.19 20.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.43 134.41 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.515 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' J' ' 2' ' ' ALA . 20.2 t0 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' J' ' 1' ' ' ASP . . . -73.39 -4.67 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.49 78.51 6.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.0 107.87 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 46.59 -102.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . 0.484 ' ND1' ' O ' ' J' ' 6' ' ' HIS . 17.1 p80 -175.25 107.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -159.85 -114.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.573 ' C ' ' H ' ' I' ' 8' ' ' SER . 0.7 OUTLIER 72.48 32.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . 0.695 ' N ' ' H ' ' I' ' 8' ' ' SER . . . 159.28 -157.54 28.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' I' ' 10' ' ' TYR . 0.2 OUTLIER -157.11 156.25 32.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.688 ' CB ' HG22 ' I' ' 12' ' ' VAL . 0.0 OUTLIER -146.55 143.11 28.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' I' ' 12' ' ' VAL . 0.9 OUTLIER -97.97 -141.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.628 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 0.1 OUTLIER 153.43 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.506 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 1.3 m170 163.03 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.565 ' O ' ' C ' ' J' ' 16' ' ' LYS . 10.2 mp0 60.45 -165.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' J' ' 15' ' ' GLN . 3.5 tmtt? -23.23 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 4.6 tp -152.53 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.47 148.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.511 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 36.2 t80 -151.77 149.11 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.11 160.51 30.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.41 113.85 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.424 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -91.61 103.79 16.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.22 114.77 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.4 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.512 HG13 ' H ' ' I' ' 24' ' ' VAL . 0.5 OUTLIER -148.89 176.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.543 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.502 ' H ' HG12 ' J' ' 24' ' ' VAL . . . 95.85 -93.53 1.57 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.417 ' C ' HD22 ' J' ' 27' ' ' ASN . 1.9 t -138.57 105.62 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 110.515 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.64 ' N ' HD22 ' J' ' 27' ' ' ASN . 0.9 OUTLIER -92.99 175.94 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.534 ' HD2' ' H ' ' J' ' 28' ' ' LYS . 0.1 OUTLIER -99.92 151.31 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.92 104.17 3.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.846 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.49 -111.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.44 146.15 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' J' ' 32' ' ' ILE . 18.5 mm -147.03 145.39 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.222 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 149.31 21.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -149.61 148.06 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.445 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.456 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -151.47 148.52 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.512 HG22 HG12 ' I' ' 36' ' ' VAL . 18.9 m -155.84 155.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.653 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 153.89 25.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.47 149.62 21.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.0 153.54 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.598 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.32 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.46 68.61 1.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -157.39 156.55 32.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.32 152.91 30.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.28 133.16 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -158.68 139.95 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.622 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 1.3 t60 -170.53 -154.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -130.45 -167.63 1.85 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 43.8 mttm 42.62 -105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.62 144.01 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.12 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -148.29 146.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.432 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -151.7 150.54 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.616 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.882 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 41.8 m-85 -155.03 153.74 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 34' ' ' LEU . . . -165.29 114.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.62 173.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.784 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 26' ' ' SER . 2.9 t70 -90.8 125.24 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.454 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.667 ' O ' HG13 ' B' ' 24' ' ' VAL . 2.2 t -103.82 119.84 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.31 -80.41 0.36 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 94.8 p -139.14 115.7 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.607 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -95.47 124.88 39.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -96.87 -165.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.468 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.69 87.4 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -144.67 -175.59 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.476 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 31' ' ' ILE . 47.2 mt -145.81 144.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.188 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -148.97 146.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.17 148.96 20.75 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -149.88 147.87 28.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -148.01 145.59 28.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HG22 ' B' ' 36' ' ' VAL . 16.0 m -149.76 149.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.95 148.27 19.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.68 149.49 21.34 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -115.88 136.15 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.7 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.613 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.44 -73.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -104.15 -178.62 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -52.45 154.81 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -71.52 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -69.9 -170.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.85 159.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t -62.61 -25.38 68.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.94 68.98 1.45 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -144.71 142.85 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -149.44 148.23 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.784 0.326 . . . . 0.0 110.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' C' ' 20' ' ' PHE . 13.0 m -126.39 137.94 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 176.92 144.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.724 ' CG ' HG21 ' B' ' 18' ' ' VAL . 36.6 m-70 -139.28 -120.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -146.68 -50.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 19.3 mmtm -87.57 -91.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 pp -145.8 144.09 30.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.288 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.724 HG21 ' CG ' ' B' ' 14' ' ' HIS . 42.8 t -153.06 150.37 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.517 ' C ' ' CG ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.89 158.82 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.882 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 171.6 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.171 0.51 . . . . 0.0 111.619 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 117.8 14.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' C' ' 23' ' ' ASP . 37.0 mm-40 -86.47 138.98 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 111.126 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 12.3 t70 -149.28 104.97 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.12 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 1.054 HG12 ' H ' ' B' ' 25' ' ' GLY . 3.5 t -136.39 -154.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 1.054 ' H ' HG12 ' B' ' 24' ' ' VAL . . . 76.09 -71.73 1.94 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -167.63 98.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.72 144.31 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -170.4 2.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 95.73 0.38 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.471 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -147.75 -168.1 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' B' ' 31' ' ' ILE . 13.4 mt -144.41 143.39 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.305 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -145.53 142.88 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.4 152.62 24.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.65 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.5 pt? -160.01 157.93 29.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' B' ' 36' ' ' VAL . 13.5 mtt -150.38 149.36 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.181 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.618 HG22 HG12 ' A' ' 36' ' ' VAL . 24.6 m -151.91 151.12 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.717 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.16 152.51 24.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.11 150.69 22.59 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.81 142.7 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.616 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.33 166.8 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 146.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.526 ' CD2' HG21 ' D' ' 36' ' ' VAL . 3.6 t80 -153.35 150.6 29.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 18.5 p90 176.15 -175.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.462 . . . . 0.0 111.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.87 126.76 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.329 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.1 102.08 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.588 ' OD1' ' OG ' ' D' ' 26' ' ' SER . 2.2 t70 -121.82 95.67 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.325 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.63 HG22 ' N ' ' C' ' 25' ' ' GLY . 2.6 p -141.29 166.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.62 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.63 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 113.07 -79.95 0.27 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 38.8 p -156.23 105.97 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 8.5 t-20 -72.46 167.29 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.591 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -138.61 162.15 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.72 76.11 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -134.63 -159.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 110.69 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' D' ' 31' ' ' ILE . 12.6 mt -145.44 146.7 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.39 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.883 HD12 ' N ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -146.0 141.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.472 ' HA3' HG13 ' D' ' 32' ' ' ILE . . . -144.68 144.76 13.68 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.878 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -150.62 148.21 28.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.467 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.465 ' SD ' ' C ' ' C' ' 34' ' ' LEU . 3.7 mpp? -146.44 146.76 30.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.977 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.903 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.7 OUTLIER -151.35 148.43 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.41 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -153.76 152.84 24.39 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -149.24 147.81 18.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' C' ' 40' ' ' VAL . 2.8 m -125.52 140.89 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.581 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' D' ' 40' ' ' VAL . 15.8 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.76 0.314 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.12 147.66 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 0.0 110.633 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 1.6 t80 -152.82 149.76 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.574 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 171.56 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.83 116.98 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -109.11 118.25 36.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' E' ' 23' ' ' ASP . 6.3 t70 -147.06 138.58 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.726 HG13 ' O ' ' D' ' 24' ' ' VAL . 7.4 p -71.75 111.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' C' ' 24' ' ' VAL . . . 125.96 -146.94 16.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.588 ' OG ' ' OD1' ' C' ' 23' ' ' ASP . 3.7 m -139.63 173.56 11.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.593 ' O ' ' O ' ' D' ' 28' ' ' LYS . 24.9 m120 -57.53 107.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.291 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.637 ' O ' ' O ' ' D' ' 29' ' ' GLY . 59.4 mmtt -51.79 -156.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.456 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.637 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -37.38 170.56 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -22.8 139.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.532 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' C' ' 31' ' ' ILE . 3.8 mt -163.82 161.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.553 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' E' ' 32' ' ' ILE . 3.6 tt 156.4 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 1.037 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 66.23 70.31 1.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.594 -0.603 . . . . 0.0 111.594 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.859 HD12 ' O ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -144.83 141.06 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.918 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.1 tmt? -157.51 156.91 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.903 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 11.6 m -158.42 158.88 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.69 ' O ' ' HA3' ' E' ' 37' ' ' GLY . . . -154.87 152.3 23.86 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -154.08 152.76 24.31 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG12 ' E' ' 39' ' ' VAL . 1.4 m -119.01 164.66 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' C' ' 40' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.57 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.555 ' CG2' ' CE2' ' E' ' 20' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.703 0.287 . . . . 0.0 110.433 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 57.1 t80 -155.68 153.19 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.572 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 175.98 -175.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.135 0.493 . . . . 0.0 111.244 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 107.38 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.53 73.22 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 5.5 t70 -106.14 118.75 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.076 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.634 HG23 ' N ' ' E' ' 25' ' ' GLY . 0.9 OUTLIER -112.6 -172.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.634 ' N ' HG23 ' E' ' 24' ' ' VAL . . . 79.31 -101.51 1.87 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 5.8 t -136.26 175.39 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.529 ' H ' ' CE ' ' D' ' 28' ' ' LYS . 0.6 OUTLIER -126.8 -173.81 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.644 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -97.3 136.94 37.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -91.8 113.76 4.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 170.16 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.539 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' D' ' 31' ' ' ILE . 59.6 mt -147.96 145.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.895 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' D' ' 32' ' ' ILE . 47.6 mt -145.49 147.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.537 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.713 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -156.19 152.35 23.77 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.859 ' O ' HD12 ' D' ' 34' ' ' LEU . 1.6 mt -153.88 154.47 33.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.682 0.277 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 1.046 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.0 OUTLIER -150.07 144.85 26.02 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 1.046 HG13 ' O ' ' E' ' 35' ' ' MET . 0.0 OUTLIER 168.08 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.018 0.437 . . . . 0.0 110.754 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.69 ' HA3' ' O ' ' D' ' 37' ' ' GLY . . . 168.26 -166.99 39.91 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.99 155.43 26.29 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' D' ' 39' ' ' VAL . 31.0 m -114.91 141.19 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.547 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.43 150.06 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -150.89 149.32 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -121.59 158.04 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -174.69 142.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 3.3 t-80 -170.28 -161.15 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' F' ' 17' ' ' LEU . 12.1 pt20 -125.36 -167.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 59.5 mttm 39.27 -93.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.632 HD12 ' O ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -146.53 144.63 29.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.093 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.654 HG12 HG22 ' G' ' 18' ' ' VAL . 0.3 OUTLIER -151.17 148.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 110.506 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD12 ' F' ' 34' ' ' LEU . 0.1 OUTLIER -154.49 153.5 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.526 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.799 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 32.5 m-85 -157.96 157.67 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.606 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -161.84 114.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -178.1 172.62 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 17.5 t70 -98.79 134.18 42.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG13 ' G' ' 24' ' ' VAL . 6.0 t -97.27 132.55 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.9 -85.63 0.4 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -143.73 117.41 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -84.07 133.93 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' F' ' 28' ' ' LYS . 10.3 mptt -93.01 -173.0 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.79 87.61 0.21 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.97 -171.05 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.416 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.2 mt -145.32 144.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.253 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.411 HD13 HG21 ' F' ' 32' ' ' ILE . 1.9 mt -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -152.47 150.55 22.38 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.776 HD12 ' CE1' ' F' ' 19' ' ' PHE . 1.1 pt? -158.53 156.95 31.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttt -150.92 148.97 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.57 HG12 HG22 ' G' ' 36' ' ' VAL . 15.7 m -150.05 149.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.696 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.68 149.76 21.45 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.37 151.86 23.65 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.12 123.09 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.626 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.1 -144.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 54.58 80.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -63.93 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' G' ' 6' ' ' HIS . 15.4 mmm180 56.53 -177.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.3 OUTLIER -60.8 -132.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . 0.585 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 23.5 t0 -160.12 166.37 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' H' ' 9' ' ' GLY . 0.7 OUTLIER 56.61 -127.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' F' ' 9' ' ' GLY . . . 62.69 68.41 1.68 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' G' ' 10' ' ' TYR . 15.6 p90 -152.82 151.16 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -151.56 151.15 31.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.622 ' O ' HG23 ' G' ' 12' ' ' VAL . 5.5 m -125.17 119.31 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.483 ' C ' ' CG ' ' G' ' 14' ' ' HIS . 1.1 p80 -131.61 150.34 52.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.685 ' CE1' HG11 ' G' ' 18' ' ' VAL . 0.5 OUTLIER 168.91 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -130.84 -166.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.591 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 32.3 mmtm 57.2 -109.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.651 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.6 143.06 30.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.685 HG11 ' CE1' ' G' ' 14' ' ' HIS . 90.4 t -150.63 149.19 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.793 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.525 ' CD2' HG11 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -157.95 155.21 29.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.799 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 174.24 -173.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.18 0.514 . . . . 0.0 111.408 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.85 113.55 13.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.036 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -86.56 123.8 32.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 47.4 t0 -138.55 110.49 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.275 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.916 HG12 ' H ' ' G' ' 25' ' ' GLY . 5.8 t -134.77 -178.66 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.552 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.916 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 95.33 -71.66 0.99 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -171.03 110.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.613 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.53 148.23 31.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.49 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -117.47 178.82 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.43 92.59 0.42 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -147.65 -165.56 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.47 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -145.3 144.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.4 144.62 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.315 . . . . 0.0 110.345 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' F' ' 33' ' ' GLY . . . -149.23 147.31 17.59 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.606 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.2 OUTLIER -152.02 150.98 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -148.88 146.09 27.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.196 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.576 HG12 HG22 ' H' ' 36' ' ' VAL . 35.0 m -150.5 150.19 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.23 150.09 21.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.95 148.13 19.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.547 HG12 ' N ' ' G' ' 40' ' ' VAL . 76.7 t -115.14 160.77 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.331 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.547 ' N ' HG12 ' G' ' 39' ' ' VAL . 11.0 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' H' ' 4' ' ' PHE . . . -79.34 -168.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' G' ' 25' ' ' GLY . 4.5 mm-40 56.28 5.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.476 ' H ' ' C ' ' H' ' 2' ' ' ALA . 35.4 t80 49.41 -119.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 32.2 ptt85 -177.45 73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.578 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 6.9 t-160 -156.04 -138.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . 0.578 ' H ' ' CG ' ' H' ' 6' ' ' HIS . 37.4 t0 -62.96 150.71 41.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' H' ' 7' ' ' ASP . 15.9 m -167.18 104.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 0.43 ' H ' ' HB2' ' G' ' 8' ' ' SER . . . -160.9 159.7 31.28 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' CD2' ' I' ' 10' ' ' TYR . 14.3 p90 -157.97 156.24 30.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.803 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.08 149.14 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.616 HG22 HG12 ' I' ' 12' ' ' VAL . 6.2 m -125.12 155.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.731 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -162.75 143.79 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.603 ' H ' ' HB3' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -154.95 -153.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' H' ' 16' ' ' LYS . 65.4 mt-30 -140.29 -113.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' H' ' 15' ' ' GLN . 0.2 OUTLIER -22.89 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.628 HD23 ' H ' ' H' ' 18' ' ' VAL . 0.4 OUTLIER -148.78 145.79 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.418 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.628 ' H ' HD23 ' H' ' 17' ' ' LEU . 17.5 t -152.87 151.17 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.782 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' H' ' 36' ' ' VAL . 0.8 OUTLIER -156.91 155.51 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.518 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.496 ' CD2' ' CE2' ' G' ' 20' ' ' PHE . 0.2 OUTLIER 174.74 -173.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 111.297 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 120.92 21.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.208 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -94.49 102.47 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.434 ' CG ' HD21 ' H' ' 27' ' ' ASN . 55.2 t0 -119.3 113.76 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.315 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.867 HG22 ' H ' ' H' ' 25' ' ' GLY . 8.5 p -145.7 -179.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.597 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.867 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 97.18 -74.76 0.68 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -161.86 104.82 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.434 HD21 ' CG ' ' H' ' 23' ' ' ASP . 0.8 OUTLIER -77.25 178.97 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 171.32 14.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.58 91.35 0.86 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -148.53 -153.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.8 mt -144.74 144.45 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.148 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.49 144.57 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.569 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.45 147.25 17.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.818 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -147.38 146.26 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.391 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.5 ttt -147.88 145.55 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.606 HG12 HG22 ' I' ' 36' ' ' VAL . 35.2 m -153.06 152.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.51 149.53 21.3 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 150.4 22.29 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' D' ' 32' ' ' ILE . 94.4 t -119.97 136.77 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.528 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' I' ' 2' ' ' ALA . 17.2 t0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' I' ' 1' ' ' ASP . . . -147.12 148.39 31.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' I' ' 4' ' ' PHE . 38.1 mt-10 48.73 80.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' I' ' 3' ' ' GLU . 50.2 m-85 -42.76 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' I' ' 6' ' ' HIS . 5.2 ptm180 -178.41 65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' I' ' 5' ' ' ARG . 73.4 m-70 -152.86 122.64 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' I' ' 6' ' ' HIS . 4.8 m-20 58.79 121.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -179.84 99.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . 0.561 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -153.07 150.61 22.39 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.561 ' CD2' ' O ' ' I' ' 9' ' ' GLY . 0.2 OUTLIER -148.81 148.29 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -148.81 147.32 28.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.616 HG12 HG22 ' H' ' 12' ' ' VAL . 12.3 m -127.36 122.87 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' J' ' 13' ' ' HIS . 6.8 t-80 -131.66 138.25 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.603 ' HB3' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -176.34 -168.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -132.34 -157.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 17.3 mmtp 49.39 -108.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.664 HD23 ' H ' ' I' ' 18' ' ' VAL . 0.5 OUTLIER -146.75 143.38 28.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.664 ' H ' HD23 ' I' ' 17' ' ' LEU . 0.7 OUTLIER -149.71 149.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.811 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.524 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 32.3 t80 -152.77 149.71 28.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.153 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.8 p90 177.0 -176.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.121 0.486 . . . . 0.0 111.413 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.13 19.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.377 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -100.09 122.03 42.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.709 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -135.22 119.46 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.793 HG12 ' H ' ' I' ' 25' ' ' GLY . 3.5 t -143.71 178.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.793 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 94.52 -90.36 1.31 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -148.59 109.65 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.729 0.299 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -82.19 -172.5 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -136.12 157.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 101.04 1.28 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' J' ' 30' ' ' ALA . . . -159.6 -140.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.627 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.58 145.37 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.222 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.42 145.24 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.236 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.412 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.81 149.4 21.23 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.412 HD12 ' C ' ' I' ' 33' ' ' GLY . 3.1 mp -149.16 147.73 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.518 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' J' ' 35' ' ' MET . 15.7 ptt? -149.6 146.9 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.606 HG22 HG12 ' H' ' 36' ' ' VAL . 33.5 m -153.07 152.8 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.95 153.24 24.65 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.82 18.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.624 ' CG2' HG23 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -95.54 154.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.294 . . . . 0.0 110.599 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.442 ' OXT' ' O ' ' I' ' 39' ' ' VAL . 74.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.13 13.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' J' ' 4' ' ' PHE . 4.7 tp10 -64.72 -61.74 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' J' ' 3' ' ' GLU . 60.2 m-85 54.25 166.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -91.88 174.47 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' J' ' 7' ' ' ASP . 2.4 t-80 65.42 151.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . 0.613 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.8 m-20 64.44 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' J' ' 8' ' ' SER . 14.2 p 60.22 91.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.5 148.71 20.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -149.04 148.22 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -150.62 149.15 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' J' ' 13' ' ' HIS . 3.0 p -120.71 160.1 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' I' ' 13' ' ' HIS . 25.6 m80 -161.4 89.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' J' ' 14' ' ' HIS . 5.8 p80 -106.36 -158.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -143.06 -33.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 11.4 mptt -98.61 -87.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.71 HD13 ' H ' ' J' ' 18' ' ' VAL . 0.1 OUTLIER -148.69 145.83 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.71 ' H ' HD13 ' J' ' 17' ' ' LEU . 16.2 m -151.65 150.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 2.9 m-85 -156.04 154.04 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.352 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.6 OUTLIER 174.48 -173.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 111.214 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 113.82 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.316 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -99.12 109.78 22.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -125.31 127.52 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.37 176.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.05 -100.51 2.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -139.72 118.36 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -94.51 174.39 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.616 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.618 ' H ' ' CD ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.73 145.4 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.62 105.91 2.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.999 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -167.48 -121.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 tt -145.73 144.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -148.43 146.87 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.4 148.84 20.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' J' ' 34' ' ' LEU . 6.0 mt -150.4 148.09 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -152.19 149.97 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.502 HG22 HG12 ' I' ' 36' ' ' VAL . 23.1 m -156.41 155.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.99 154.57 25.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.56 21.39 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.8 140.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.548 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.551 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.22 152.93 24.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -149.61 148.14 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.6 149.15 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.32 149.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.658 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -175.86 148.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.671 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 2.8 m80 -176.92 -172.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.588 ' NE2' ' NZ ' ' A' ' 16' ' ' LYS . 9.8 pt20 -114.45 -174.07 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' NZ ' ' NE2' ' A' ' 15' ' ' GLN . 56.5 mttp 43.28 -100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.46 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.734 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -147.47 146.11 29.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG21 ' CB ' ' A' ' 14' ' ' HIS . 79.0 t -148.91 147.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -148.42 146.96 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.713 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 39.5 m-85 -157.33 155.71 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.803 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.03 101.44 3.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.29 171.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 4.1 p30 -102.07 147.28 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.52 -93.02 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -135.17 156.75 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.652 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -111.84 124.21 51.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -94.05 -167.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 90.9 0.24 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.83 -168.45 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -146.07 144.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 pt -148.97 147.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.525 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.95 147.9 18.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.88 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.41 147.7 28.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.47 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttp -148.95 147.06 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 1.1 m -148.14 147.37 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.55 149.68 21.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.53 152.74 24.32 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.24 128.69 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.575 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.92 175.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 45.5 44.27 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -46.55 -40.56 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' B' ' 6' ' ' HIS . 10.3 ptm180 -164.28 -118.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.695 ' H ' ' HE ' ' B' ' 5' ' ' ARG . 43.5 m-70 54.46 164.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -88.25 159.3 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -167.66 140.96 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.519 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -158.17 156.59 27.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.519 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -154.33 154.45 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -152.72 150.31 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.76 137.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -150.18 107.8 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.77 ' CD2' ' H ' ' B' ' 15' ' ' GLN . 61.9 t60 -120.08 -173.8 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.77 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 28.3 mt-30 -116.41 -92.81 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.3 mptm? -51.95 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 143.61 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -147.39 145.67 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.583 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -155.32 152.45 29.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.408 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.713 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 171.95 -171.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.166 0.508 . . . . 0.0 111.306 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 115.52 18.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -91.62 134.01 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.4 t70 -151.87 113.46 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.29 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -178.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.628 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.93 -95.71 2.11 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -158.09 120.24 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.11 151.09 35.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.58 175.69 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.91 98.84 0.65 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -148.96 -158.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -145.46 144.94 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.172 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -147.35 145.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.39 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.61 152.7 24.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.794 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.8 pt? -161.5 160.56 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.25 149.0 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' C' ' 36' ' ' VAL . 0.1 OUTLIER -147.49 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.49 150.18 22.06 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.79 150.02 21.85 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.82 145.88 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.508 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.94 -64.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.76 0.314 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' C' ' 20' ' ' PHE . 23.7 t -148.5 147.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -155.73 152.71 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' D' ' 20' ' ' PHE . 0.0 OUTLIER 172.12 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 111.227 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.55 121.97 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -95.19 112.95 24.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' D' ' 27' ' ' ASN . 13.1 t70 -139.88 109.71 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.66 178.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.01 -96.63 2.18 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -147.53 141.54 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.621 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 6.0 t-20 -94.54 172.7 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.531 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -118.15 168.86 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.63 100.82 2.5 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.53 -140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.597 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mt -145.18 144.66 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.884 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.65 146.58 16.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.884 HD12 ' C ' ' C' ' 33' ' ' GLY . 6.0 mp -149.08 147.45 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' D' ' 35' ' ' MET . 18.0 ttt -147.9 146.11 28.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.564 HG12 ' O ' ' D' ' 36' ' ' VAL . 0.0 OUTLIER -150.17 149.61 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.89 149.44 21.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.06 18.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.83 159.68 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.639 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.595 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.231 0.087 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.46 147.45 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 10.5 t80 -152.73 149.36 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.201 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.758 ' HB2' ' O ' ' C' ' 20' ' ' PHE . 7.7 p90 175.07 -173.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.184 0.516 . . . . 0.0 111.333 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.46 121.69 36.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.308 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.24 111.87 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -135.99 110.75 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.703 HG12 ' H ' ' D' ' 25' ' ' GLY . 12.1 t -136.28 174.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.703 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 96.53 -85.76 0.87 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -148.82 112.4 5.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' C' ' 23' ' ' ASP . 3.1 m-80 -89.48 168.34 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.523 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.1 OUTLIER -103.26 164.32 11.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.48 99.65 2.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.56 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.57 -123.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.614 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' D' ' 31' ' ' ILE . 6.1 mt -144.93 144.58 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.417 HD13 HG21 ' D' ' 32' ' ' ILE . 8.0 mt -147.44 145.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.403 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -152.24 149.55 21.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.403 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.91 149.2 30.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.535 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 35' ' ' MET . 7.6 ttt -147.39 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.564 ' O ' HG12 ' C' ' 36' ' ' VAL . 0.5 OUTLIER -149.06 148.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.5 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -151.22 148.83 20.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.82 148.68 20.22 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.492 HG12 HG23 ' D' ' 40' ' ' VAL . 90.5 t -111.79 133.27 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.527 ' O ' HG12 ' D' ' 40' ' ' VAL . 84.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.815 0.341 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.631 ' C ' ' CG ' ' E' ' 20' ' ' PHE . 24.9 m-85 -151.34 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.093 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.677 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.91 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.181 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.99 104.58 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.323 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.4 mp0 -111.8 110.38 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -139.31 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' E' ' 26' ' ' SER . 3.7 p -63.08 162.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.571 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -43.07 76.41 0.0 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.765 ' N ' ' O ' ' E' ' 24' ' ' VAL . 8.4 t -95.2 161.59 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -140.08 109.85 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -92.99 -152.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.336 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.561 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -47.05 163.49 0.17 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.513 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -60.98 4.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' E' ' 29' ' ' GLY . 20.2 tt -151.31 147.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.475 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -146.88 146.57 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.273 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.12 153.85 25.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.72 153.03 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.502 ' O ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -150.03 146.66 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.218 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.458 HG22 ' C ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -156.49 156.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -155.25 153.97 25.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.82 150.51 22.41 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.448 ' O ' HG23 ' E' ' 39' ' ' VAL . 6.1 m -119.85 131.58 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.676 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.494 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' F' ' 24' ' ' VAL . 53.1 m-85 -150.34 148.51 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' F' ' 11' ' ' GLU . 1.0 OUTLIER -150.39 148.33 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.301 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.499 HG23 ' CE1' ' G' ' 14' ' ' HIS . 30.4 m -128.37 144.63 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' G' ' 13' ' ' HIS . 55.9 p-80 -175.57 -170.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.501 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 1.9 t60 74.09 -177.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.501 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 5.0 mm100 64.04 146.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 42.2 mtmt -71.28 -48.79 48.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 1.052 ' O ' HG13 ' F' ' 18' ' ' VAL . 1.8 pt? -149.51 146.22 27.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.932 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 1.052 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.0 OUTLIER 171.41 -169.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.221 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.778 ' H ' ' HD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -152.11 152.26 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.184 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.779 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 62.9 m-85 -151.21 148.88 28.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.38 128.44 54.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.348 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.628 ' O ' ' O ' ' G' ' 23' ' ' ASP . 41.9 mm-40 -80.8 134.31 35.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -159.78 83.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.7 ' CG2' ' H ' ' G' ' 25' ' ' GLY . 33.3 m -93.14 179.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 -105.08 2.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -147.74 154.78 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.678 0.275 . . . . 0.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.737 ' H ' HD22 ' F' ' 27' ' ' ASN . 0.1 OUTLIER -88.25 125.79 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 1.5 mmtp -94.94 -173.12 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.66 78.45 1.18 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.488 ' HB2' ' H ' ' G' ' 30' ' ' ALA . . . -140.85 -166.02 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -146.2 143.77 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.167 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.489 HG22 ' HB ' ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.09 145.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.553 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.521 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -151.7 148.78 20.2 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.872 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -153.35 152.76 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.022 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -152.46 149.51 28.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.178 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.627 ' N ' ' SD ' ' F' ' 35' ' ' MET . 1.3 m -151.91 152.41 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 71.96 0.81 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . 0.607 ' H ' ' HA2' ' G' ' 37' ' ' GLY . . . -62.17 -71.9 0.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' ' O ' ' G' ' 38' ' ' GLY . 7.7 p -112.55 128.91 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.547 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' G' ' 4' ' ' PHE . . . -157.53 164.54 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -73.57 136.98 44.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' G' ' 2' ' ' ALA . 84.0 m-85 -123.65 2.56 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' G' ' 5' ' ' ARG . 5.5 mpt_? -84.18 132.52 34.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -79.22 165.33 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 63.71 133.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -166.81 146.04 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.71 153.41 24.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.664 ' CD2' ' CD2' ' H' ' 10' ' ' TYR . 1.3 p90 -154.09 153.07 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.397 . . . . 0.0 110.622 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -150.21 149.84 30.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.38 142.52 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' G' ' 13' ' ' HIS . 42.8 p-80 -177.43 114.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.499 ' CE1' HG23 ' F' ' 12' ' ' VAL . 7.0 m80 -122.16 -139.96 0.32 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.637 ' O ' ' C ' ' G' ' 16' ' ' LYS . 60.1 mt-30 -134.13 -156.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' G' ' 15' ' ' GLN . 3.7 tptm 16.81 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.667 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' G' ' 15' ' ' GLN . 2.1 pp -146.32 144.05 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.232 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 ' ND1' ' G' ' 14' ' ' HIS . 9.9 p -148.67 147.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -156.95 154.68 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.503 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.823 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 27.8 p90 167.56 -165.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.48 . . . . 0.0 111.1 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.56 130.27 52.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 0.0 OUTLIER -96.16 110.23 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' F' ' 22' ' ' GLU . 42.3 t0 -135.28 103.27 5.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.94 177.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.7 ' H ' ' CG2' ' F' ' 24' ' ' VAL . . . 90.44 -100.97 2.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 135.66 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -74.07 -171.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -144.32 171.14 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 97.79 1.04 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -157.46 -152.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.659 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 57.0 mt -144.64 144.04 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.053 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.489 ' HB ' HG22 ' F' ' 32' ' ' ILE . 1.1 mt -148.82 145.94 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' G' ' 34' ' ' LEU . . . -148.16 147.28 17.76 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.488 HD12 ' O ' ' F' ' 33' ' ' GLY . 4.2 mp -146.53 144.39 29.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.458 ' O ' HG23 ' G' ' 36' ' ' VAL . 1.3 tmt? -142.33 141.87 32.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' F' ' 35' ' ' MET . 77.2 t -155.56 152.24 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.607 ' HA2' ' H ' ' F' ' 38' ' ' GLY . . . -155.26 155.49 26.28 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' F' ' 39' ' ' VAL . . . -146.02 144.91 13.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.01 122.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.626 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' G' ' 40' ' ' VAL . 97.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' H' ' 2' ' ' ALA . 73.2 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' H' ' 1' ' ' ASP . . . 54.7 167.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.82 118.49 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.71 137.17 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -68.69 -154.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' H' ' 7' ' ' ASP . 9.0 t-80 64.04 114.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . 0.76 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 11.5 m-20 56.27 117.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.624 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -178.08 131.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 0.965 ' HA2' ' H ' ' I' ' 9' ' ' GLY . . . -150.84 150.5 22.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 24.3 m-85 -146.35 144.23 29.63 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.4 pm0 -146.34 145.85 30.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.678 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.492 ' N ' ' HG3' ' I' ' 11' ' ' GLU . 24.9 t -115.47 140.05 38.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.975 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -152.82 176.04 12.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.497 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 1.043 ' CG ' ' H ' ' H' ' 15' ' ' GLN . 31.5 t-80 -177.25 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 1.043 ' H ' ' CG ' ' H' ' 14' ' ' HIS . 41.2 tt0 -132.81 -103.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 2.8 tmtp? -51.2 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' H' ' 14' ' ' HIS . 6.4 tt -145.51 143.89 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.308 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 4.7 p -147.34 145.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.532 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.473 ' C ' ' CG ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -154.99 151.86 28.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.823 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 167.99 -166.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.032 0.444 . . . . 0.0 111.115 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.99 129.12 54.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.84 112.22 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' G' ' 22' ' ' GLU . 46.4 t0 -136.58 101.59 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.681 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.2 OUTLIER -105.21 -174.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' H' ' 24' ' ' VAL . . . 74.97 -99.56 1.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -143.73 158.97 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -110.01 -175.49 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -128.72 165.94 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.8 103.15 2.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.909 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -158.1 -140.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.416 HG21 HD13 ' H' ' 31' ' ' ILE . 12.7 mt -145.09 144.58 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.166 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.93 146.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.511 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.79 ' O ' HD23 ' H' ' 34' ' ' LEU . . . -150.52 148.29 19.32 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.79 HD23 ' O ' ' H' ' 33' ' ' GLY . 5.3 mt -150.11 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.569 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.466 ' C ' ' CG1' ' H' ' 36' ' ' VAL . 1.8 mpt? -149.54 146.66 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.542 HG22 HG22 ' G' ' 36' ' ' VAL . 1.0 OUTLIER -154.23 153.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 152.08 23.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.47 148.67 20.11 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.1 120.83 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.509 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.85 -120.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -124.8 123.06 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' I' ' 4' ' ' PHE . 5.0 m-85 -125.7 141.83 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 57.68 -109.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.76 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 50.8 m80 -63.77 130.08 42.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' I' ' 8' ' ' SER . 1.2 p30 171.26 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.474 ' HB3' ' N ' ' J' ' 9' ' ' GLY . 1.4 m 39.59 81.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.382 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . 0.965 ' H ' ' HA2' ' H' ' 9' ' ' GLY . . . -65.21 -70.83 0.99 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 1.073 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.0 OUTLIER -147.42 144.01 28.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 35.4 tt0 -152.04 149.79 29.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.452 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.734 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 66.1 t 106.97 101.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.166 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.453 ' HA ' ' H ' ' J' ' 13' ' ' HIS . 0.8 OUTLIER -143.26 -86.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.873 ' HD1' ' HB3' ' H' ' 14' ' ' HIS . 66.9 t60 56.69 -166.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.833 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 42.5 tp60 -146.79 -69.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 7.6 mptt -69.69 -80.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.669 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 0.4 OUTLIER -146.0 144.06 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.256 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' J' ' 18' ' ' VAL . 2.2 p -148.96 147.06 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 21.4 t80 -154.44 151.85 29.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.757 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.28 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 129.13 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.246 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.24 120.22 39.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.543 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 13.8 t0 -135.87 112.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.398 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' H' ' 24' ' ' VAL . 1.1 t -143.13 -146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 68.74 -78.16 0.27 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.7 p -153.64 106.3 2.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.543 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -92.85 161.31 14.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.511 ' O ' ' NZ ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -117.96 164.89 14.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.24 107.9 2.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.909 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -155.12 -137.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -144.78 144.03 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.166 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' I' ' 32' ' ' ILE . 1.5 mt -147.02 145.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.806 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.41 148.54 19.85 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.806 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.5 mp -153.26 151.53 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.83 149.61 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.252 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.539 HG12 HG22 ' J' ' 36' ' ' VAL . 6.8 m -152.34 151.7 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.625 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.39 151.77 23.49 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.66 147.99 18.84 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.25 123.27 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.428 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' J' ' 4' ' ' PHE . . . -78.11 78.15 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.98 20.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' J' ' 2' ' ' ALA . 41.7 m-85 -85.85 -33.17 21.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' J' ' 6' ' ' HIS . 3.8 mmp_? -76.88 -154.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' J' ' 5' ' ' ARG . 85.8 m-70 -158.11 -174.03 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . 0.634 ' N ' ' OD1' ' J' ' 7' ' ' ASP . 4.0 p-10 -159.11 -172.66 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.603 ' C ' ' O ' ' J' ' 7' ' ' ASP . 2.2 p 19.79 98.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -60.82 -68.82 1.5 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 1.073 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.3 OUTLIER 164.37 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 110.683 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.984 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 17.1 tp10 164.0 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.984 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 85.4 t -42.02 -88.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.721 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' J' ' 12' ' ' VAL . 1.9 m-70 163.51 -83.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 p80 179.43 -176.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -139.03 -50.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 2.3 tptp -95.75 -80.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.503 ' O ' HD23 ' I' ' 17' ' ' LEU . 5.0 tp -151.14 147.82 27.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' I' ' 18' ' ' VAL . 30.3 m -151.53 151.09 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' I' ' 19' ' ' PHE . 2.0 m-85 -155.26 152.81 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.361 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 0.5 OUTLIER 174.01 -173.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.47 . . . . 0.0 111.119 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 114.19 26.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -111.75 102.13 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.538 ' O ' ' OD2' ' J' ' 7' ' ' ASP . 0.7 OUTLIER -139.06 142.34 38.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.737 ' O ' ' N ' ' J' ' 26' ' ' SER . 2.8 t -34.06 131.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.445 ' HA2' ' H ' ' I' ' 24' ' ' VAL . . . -47.75 74.83 0.0 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.737 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.1 OUTLIER -144.29 101.99 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 110.475 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -83.65 171.76 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 141.06 50.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.92 93.44 1.06 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.571 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -175.7 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 mt -146.56 145.96 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.21 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -147.93 146.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.827 0.346 . . . . 0.0 110.535 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.38 147.83 18.38 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -150.98 149.69 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -148.97 147.13 28.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.539 HG22 HG12 ' I' ' 36' ' ' VAL . 17.3 m -154.76 153.24 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.45 154.81 25.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.95 149.43 21.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.02 141.71 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.428 ' OXT' ' O ' ' I' ' 40' ' ' VAL . 39.6 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.835 ' OG ' ' N ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.902 0.382 . . . . 0.0 110.747 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.835 ' N ' ' OG ' ' A' ' 8' ' ' SER . . . 66.31 69.12 1.43 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CE2' ' CE1' ' B' ' 10' ' ' TYR . 17.7 t80 -139.88 136.76 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -144.24 144.97 31.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.295 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.043 HG21 ' HA ' ' B' ' 12' ' ' VAL . 30.3 m -115.9 68.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.655 ' CG ' ' H ' ' A' ' 14' ' ' HIS . 9.3 t60 36.66 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.113 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.655 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 4.2 p80 -156.04 -165.98 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.757 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 8.0 tp-100 -176.35 158.1 1.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 9.0 mmtm 42.78 30.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.449 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.771 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 151.62 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.588 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.202 ' O ' HG11 ' B' ' 18' ' ' VAL . 12.9 p -171.75 169.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 111.772 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.0 ' CE2' ' O ' ' A' ' 34' ' ' LEU . 29.1 t80 155.58 -155.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 156.25 -151.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.505 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . 146.14 134.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.744 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -144.77 172.74 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.725 ' OD2' ' N ' ' A' ' 27' ' ' ASN . 5.7 t0 -96.58 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.659 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 28.1 m -110.26 48.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.68 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 175.53 -87.21 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' CA ' ' B' ' 25' ' ' GLY . 23.2 t -171.42 95.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.848 ' HA ' ' HB ' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -83.36 139.82 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.297 179.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' O ' ' HA ' ' C' ' 24' ' ' VAL . 0.5 OUTLIER -133.04 -157.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.963 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.752 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -30.21 114.88 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.161 ' O ' HD12 ' A' ' 31' ' ' ILE . . . 134.38 157.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 1.28 ' HA ' ' N ' ' C' ' 23' ' ' ASP . 1.1 mp -148.66 143.54 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.439 ' H ' ' C ' ' C' ' 22' ' ' GLU . 1.5 pp -160.34 161.82 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' B' ' 21' ' ' ALA . . . -154.37 154.94 25.86 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.719 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.037 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 0.4 OUTLIER -147.67 144.07 28.1 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 1.092 ' HB3' ' CD1' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -158.97 159.49 34.9 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 111.957 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.94 140.78 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.284 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.704 ' O ' ' CA ' ' B' ' 37' ' ' GLY . . . 152.36 -149.15 20.77 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -166.27 163.57 36.96 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.766 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.773 ' HB ' ' H ' ' B' ' 40' ' ' VAL . 84.1 t -83.49 117.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.502 -0.349 . . . . 0.0 110.436 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 2.5 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' B' ' 1' ' ' ASP . . . 171.33 129.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 26' ' ' SER . 13.8 mm-40 -122.19 126.82 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.29 -149.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -159.41 -169.6 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.573 ' O ' ' O ' ' B' ' 7' ' ' ASP . 22.6 m80 53.52 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 6' ' ' HIS . 6.8 m-20 50.37 163.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.613 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.6 OUTLIER 171.61 -11.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.441 ' H ' ' HA ' ' A' ' 8' ' ' SER . . . -147.0 143.53 11.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.591 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 12.0 t80 -147.48 144.59 28.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.655 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' CD1' ' B' ' 20' ' ' PHE . 1.7 mt-10 -140.83 143.13 34.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 1.043 ' HA ' HG21 ' A' ' 12' ' ' VAL . 11.5 m -118.01 126.8 75.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.949 ' O ' ' O ' ' B' ' 12' ' ' VAL . 10.3 p-80 -27.32 -179.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.558 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 1.096 ' NE2' HG23 ' B' ' 18' ' ' VAL . 8.6 p80 -154.1 -137.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 17' ' ' LEU . 2.7 mt-30 171.53 171.86 0.09 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.924 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 3.7 mptp? 29.78 37.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.924 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER 151.15 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 1.202 HG11 ' O ' ' A' ' 18' ' ' VAL . 8.9 p -177.15 176.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.682 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 1.581 ' CD1' ' HB2' ' C' ' 19' ' ' PHE . 1.0 OUTLIER 157.66 -156.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.118 -179.273 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 1.234 ' N ' ' HD2' ' B' ' 19' ' ' PHE . 8.6 m-30 146.59 -146.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.808 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 32' ' ' ILE . . . 172.73 -130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 1.5 mm-40 89.29 68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 7.6 t0 -62.77 -143.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 1.153 ' O ' HG11 ' C' ' 24' ' ' VAL . 1.9 p -160.26 158.34 2.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.554 ' CA ' ' O ' ' A' ' 26' ' ' SER . . . -37.72 -19.28 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.653 ' N ' ' O ' ' B' ' 24' ' ' VAL . 35.6 m -98.08 88.83 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.543 ' HB3' HG13 ' C' ' 24' ' ' VAL . 2.4 t-20 -173.51 -156.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.514 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 1.6 mmtt -91.36 160.71 15.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.876 ' H ' ' HB3' ' C' ' 27' ' ' ASN . . . -99.61 78.65 0.49 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.688 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -179.44 -134.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.856 HG22 ' H ' ' C' ' 32' ' ' ILE . 0.8 OUTLIER -140.35 139.66 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 1.2 mt -152.1 147.69 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.329 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 1.277 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -145.08 146.09 16.07 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 1.037 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -147.94 143.72 27.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 117.417 0.609 . . . . 0.0 110.442 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.818 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -146.26 148.03 32.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 0.4 OUTLIER -145.57 140.22 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.704 ' CA ' ' O ' ' A' ' 37' ' ' GLY . . . 153.17 -150.91 22.74 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.594 ' H ' ' HA2' ' A' ' 38' ' ' GLY . . . -156.84 156.11 26.91 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.439 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.824 ' N ' ' O ' ' C' ' 38' ' ' GLY . 26.3 t -103.44 115.81 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.351 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.773 ' H ' ' HB ' ' A' ' 39' ' ' VAL . 10.1 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.88 151.31 33.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 1.061 ' HG ' ' HB3' ' D' ' 17' ' ' LEU . 2.1 mm? . . . . . 0 CA--C 1.527 0.083 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 1.111 HG22 ' N ' ' C' ' 19' ' ' PHE . 3.5 p 143.21 -141.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.22 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 1.581 ' HB2' ' CD1' ' B' ' 19' ' ' PHE . 0.1 OUTLIER 73.16 71.33 0.13 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 1.338 ' HA ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -67.02 -73.95 0.12 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.57 0.623 . . . . 0.0 110.706 179.01 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.864 ' O ' ' HB3' ' B' ' 21' ' ' ALA . . . 166.93 -138.82 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 1.439 ' C ' ' H ' ' A' ' 32' ' ' ILE . 3.3 mm-40 117.76 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.662 0.268 . . . . 0.0 110.682 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 1.28 ' N ' ' HA ' ' A' ' 31' ' ' ILE . 33.3 t0 -126.16 -133.9 0.25 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.994 0.426 . . . . 0.0 111.533 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 1.153 HG11 ' O ' ' B' ' 24' ' ' VAL . 0.7 OUTLIER -156.43 161.19 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.684 ' HA2' ' O ' ' A' ' 29' ' ' GLY . . . -99.98 86.58 0.68 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -167.19 62.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.876 ' HB3' ' H ' ' B' ' 29' ' ' GLY . 0.1 OUTLIER 170.68 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.542 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.614 ' C ' ' O ' ' B' ' 29' ' ' GLY . 10.3 ptmt -50.67 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.556 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . . . -150.79 93.76 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' D' ' 27' ' ' ASN . . . -172.59 -147.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.781 ' O ' ' CB ' ' D' ' 32' ' ' ILE . 6.2 mt -138.08 138.92 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.577 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.856 ' H ' HG22 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -149.95 146.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 1.249 ' O ' ' HG ' ' D' ' 34' ' ' LEU . . . -151.92 152.2 23.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 1.277 ' HG ' ' O ' ' B' ' 33' ' ' GLY . 1.3 pt? -151.98 148.73 28.09 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 1.032 ' HG3' ' H ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -148.63 149.62 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.316 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.783 ' N ' ' O ' ' B' ' 35' ' ' MET . 0.5 OUTLIER -146.85 142.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.151 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.61 -145.08 13.58 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . 0.937 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . 149.63 -146.55 15.94 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.168 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.779 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 3.5 t -105.35 155.48 6.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.451 ' N ' ' CG1' ' C' ' 39' ' ' VAL . 3.4 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 1.061 ' HB3' ' HG ' ' C' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.988 HG23 ' N ' ' D' ' 19' ' ' PHE . 1.3 m -63.71 -74.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 1.325 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 167.04 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.909 -177.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 1.408 ' N ' ' H ' ' E' ' 20' ' ' PHE . 34.7 m-85 160.44 -161.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.431 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.982 ' O ' HG22 ' A' ' 31' ' ' ILE . . . 140.82 -78.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.449 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.814 ' HB2' ' O ' ' D' ' 21' ' ' ALA . 0.2 OUTLIER 88.78 179.39 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.854 ' CA ' HD13 ' B' ' 31' ' ' ILE . 6.4 t0 -126.69 158.84 35.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.927 0.394 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.616 HG12 ' N ' ' D' ' 27' ' ' ASN . 1.1 t -64.52 153.72 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.718 ' H ' ' CA ' ' A' ' 29' ' ' GLY . . . -44.78 -52.09 7.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -139.11 68.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.616 ' N ' HG12 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -89.47 157.08 18.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.432 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.581 ' HD2' ' ND2' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -74.37 174.94 8.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . -62.61 89.9 0.06 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.707 ' N ' ' OD1' ' E' ' 27' ' ' ASN . . . -167.58 145.6 4.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.593 HG13 HD12 ' C' ' 31' ' ' ILE . 0.5 OUTLIER -143.23 143.66 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.952 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.781 ' CB ' ' O ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -149.38 145.74 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.197 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.702 ' O ' ' HG ' ' E' ' 34' ' ' LEU . . . -152.65 153.25 24.75 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.459 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 1.249 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 0.4 OUTLIER -149.77 145.77 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 110.444 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.713 ' HG2' ' H ' ' E' ' 36' ' ' VAL . 0.1 OUTLIER -145.25 146.62 31.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 1.032 ' H ' ' HG3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -146.25 141.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.558 ' O ' ' CA ' ' E' ' 37' ' ' GLY . . . 147.44 -145.58 14.4 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . 0.937 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . 145.56 -142.36 10.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.779 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 2.0 m -138.68 129.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 110.435 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 1.319 ' N ' ' HD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 1.111 ' O ' ' CG ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 71.95 73.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.467 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 1.408 ' H ' ' N ' ' D' ' 20' ' ' PHE . 33.1 m-85 -64.36 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 111.889 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.903 ' O ' ' HB2' ' E' ' 22' ' ' GLU . . . 155.56 -87.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.668 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . 0.984 ' H ' HG21 ' G' ' 39' ' ' VAL . 0.0 OUTLIER 98.84 -177.87 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.976 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' E' ' 24' ' ' VAL . 9.6 t0 -140.01 154.76 47.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.839 HG13 ' N ' ' E' ' 25' ' ' GLY . 0.3 OUTLIER -85.7 -170.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.298 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.839 ' N ' HG13 ' E' ' 24' ' ' VAL . . . -36.09 -48.14 1.08 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.1 p -174.38 108.84 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.707 ' OD1' ' N ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -116.43 87.67 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -112.84 46.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . 177.25 37.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' D' ' 29' ' ' GLY . . . 170.04 108.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.385 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.47 HD12 HD13 ' D' ' 31' ' ' ILE . 2.6 tp -143.73 144.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.21 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.593 HG13 ' O ' ' D' ' 31' ' ' ILE . 0.9 OUTLIER -149.41 144.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.57 161.7 32.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.874 ' HG ' ' HA ' ' D' ' 34' ' ' LEU . 1.2 pp -159.27 156.98 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.178 0.513 . . . . 0.0 111.125 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.694 ' N ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -142.73 142.2 31.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.689 179.202 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.713 ' H ' ' HG2' ' D' ' 35' ' ' MET . 1.4 t -145.07 143.39 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.105 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.558 ' CA ' ' O ' ' D' ' 37' ' ' GLY . . . 143.91 -142.43 11.16 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . 0.486 ' O ' ' CA ' ' D' ' 38' ' ' GLY . . . 147.82 -146.33 15.89 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.264 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.593 HG11 ' O ' ' H' ' 33' ' ' GLY . 0.8 OUTLIER -148.49 155.13 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.742 0.306 . . . . 0.0 110.2 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.644 HG22 ' O ' ' E' ' 40' ' ' VAL . 5.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . 0.877 ' O ' ' HB2' ' F' ' 10' ' ' TYR . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' G' ' 10' ' ' TYR . 35.6 t80 142.26 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CG ' ' F' ' 10' ' ' TYR . 85.9 mt-10 -144.28 140.68 29.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.755 ' H ' ' H ' ' G' ' 12' ' ' VAL . 18.2 t -113.48 100.23 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.57 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -150.74 174.15 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.747 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -176.94 -130.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' F' ' 17' ' ' LEU . 36.5 mm-40 -131.19 170.39 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 48.8 mttm 42.39 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.502 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -143.49 141.63 30.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.855 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 1.092 ' N ' HG11 ' G' ' 18' ' ' VAL . 1.6 p -149.29 146.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -152.62 152.69 32.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.26 147.34 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.231 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -171.5 127.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.542 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 50.7 tt0 173.29 162.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' F' ' 22' ' ' GLU . 9.4 t70 -78.13 123.55 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' G' ' 23' ' ' ASP . 0.5 OUTLIER -101.55 108.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.31 -75.49 0.35 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.483 ' O ' ' OD2' ' F' ' 23' ' ' ASP . 68.7 m -148.77 118.71 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.56 147.2 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.04 -168.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.88 95.21 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -155.95 -175.28 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.449 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.46 142.41 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -151.71 150.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.031 0.444 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.89 143.48 11.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.902 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -145.05 142.58 29.86 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.718 -0.283 . . . . 0.0 110.32 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.819 ' HG3' ' C ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.33 156.36 30.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 111.422 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.528 HG12 ' CG2' ' G' ' 36' ' ' VAL . 1.6 m -148.39 147.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.019 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' G' ' 37' ' ' GLY . . . 148.03 -145.98 15.12 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . 1.105 ' HA3' ' O ' ' G' ' 38' ' ' GLY . . . 155.47 -154.07 25.25 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' E' ' 20' ' ' PHE . 8.4 m -137.2 159.1 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.424 ' OXT' ' OE1' ' E' ' 22' ' ' GLU . 2.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.589 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.42 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -45.01 127.34 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.75 -51.53 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . 0.43 ' C ' ' CG ' ' G' ' 6' ' ' HIS . 12.3 mmm180 -72.71 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . 0.43 ' CG ' ' C ' ' G' ' 5' ' ' ARG . 2.5 p80 173.59 97.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -143.9 -70.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.47 ' O ' ' O ' ' H' ' 9' ' ' GLY . 1.4 m 56.65 30.23 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -61.6 -70.99 0.87 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.0 OUTLIER -171.99 173.1 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 111.22 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' H' ' 11' ' ' GLU . 2.1 pt-20 -151.84 150.88 30.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.456 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.822 ' O ' ' HA ' ' H' ' 12' ' ' VAL . 2.7 t 75.03 110.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' H' ' 13' ' ' HIS . 1.5 t60 -136.4 -113.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' G' ' 15' ' ' GLN . 31.0 t-80 -74.62 155.44 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' G' ' 14' ' ' HIS . 0.0 OUTLIER 156.96 140.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.498 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.746 ' NZ ' HE21 ' H' ' 15' ' ' GLN . 5.8 tptp -62.42 -66.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.608 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 1.185 ' O ' HG13 ' G' ' 18' ' ' VAL . 2.1 pp -150.66 147.04 26.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.211 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 1.185 HG13 ' O ' ' G' ' 17' ' ' LEU . 0.2 OUTLIER 163.62 -160.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.985 0.421 . . . . 0.0 111.038 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.775 ' C ' ' CD2' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -154.93 154.81 33.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.938 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 1.02 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -147.69 143.8 27.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -165.48 139.72 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.548 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.542 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.1 OUTLIER 173.98 142.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.716 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.561 ' CG ' HD22 ' H' ' 27' ' ' ASN . 1.6 m-20 -81.34 139.18 35.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 m -94.07 95.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.628 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' F' ' 24' ' ' VAL . . . 146.12 -84.11 0.19 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . 0.561 ' O ' ' O ' ' H' ' 25' ' ' GLY . 73.0 m -146.43 178.2 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' OD2' ' F' ' 23' ' ' ASP . 16.1 p-10 -146.72 169.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -110.6 178.6 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.482 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 102.81 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.801 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -153.03 -156.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' H' ' 32' ' ' ILE . 69.7 mt -144.13 142.86 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.852 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 10.0 mt -145.46 144.06 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.549 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 1.084 ' C ' HD13 ' G' ' 34' ' ' LEU . . . -148.88 144.66 12.44 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 1.084 HD13 ' C ' ' G' ' 33' ' ' GLY . 0.0 OUTLIER -148.46 149.32 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.754 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.7 ' SD ' ' SD ' ' F' ' 35' ' ' MET . 5.6 mtt -152.81 149.66 28.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.971 ' HA ' ' O ' ' H' ' 36' ' ' VAL . 25.4 m -155.5 155.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.474 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 66.94 72.13 0.82 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . 1.105 ' O ' ' HA3' ' F' ' 38' ' ' GLY . . . -64.93 -74.17 0.51 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.734 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.984 HG21 ' H ' ' E' ' 22' ' ' GLU . 0.3 OUTLIER -149.84 138.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.66 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.556 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.95 -173.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' H' ' 5' ' ' ARG . 33.8 mt-10 -84.26 150.19 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.22 45.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' H' ' 6' ' ' HIS . 48.1 mtp85 55.45 95.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' H' ' 5' ' ' ARG . 95.0 m-70 -158.85 170.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.26 -179.54 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.695 ' OG ' ' CD1' ' H' ' 10' ' ' TYR . 33.5 t -64.85 -75.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . 64.28 70.71 1.0 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.695 ' CD1' ' OG ' ' H' ' 8' ' ' SER . 0.5 OUTLIER -158.02 155.86 30.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 110.894 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' G' ' 11' ' ' GLU . 13.8 tt0 -148.73 149.78 32.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.822 ' HA ' ' O ' ' G' ' 12' ' ' VAL . 5.4 m -125.06 167.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.782 ' CD2' ' H ' ' H' ' 14' ' ' HIS . 18.6 t-160 -169.98 163.54 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.782 ' H ' ' CD2' ' H' ' 13' ' ' HIS . 0.5 OUTLIER -165.05 -164.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.678 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.766 ' N ' ' CG ' ' H' ' 14' ' ' HIS . 0.2 OUTLIER -134.39 -81.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.576 ' C ' ' HE2' ' H' ' 14' ' ' HIS . 22.1 mttp -59.53 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -143.81 142.5 30.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' CG ' ' H' ' 14' ' ' HIS . 1.0 OUTLIER -151.23 148.04 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.612 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.9 OUTLIER -157.49 156.83 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 1.108 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 47.9 p90 168.71 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.92 138.6 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -131.65 124.33 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.762 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 3.2 p30 -140.03 146.77 39.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.643 HG11 ' C ' ' I' ' 25' ' ' GLY . 2.8 p -34.29 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.565 ' N ' HG22 ' H' ' 24' ' ' VAL . . . -48.46 -5.94 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . 0.599 ' H ' ' C ' ' H' ' 24' ' ' VAL . 4.7 t -87.75 110.73 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.606 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.561 HD22 ' CG ' ' G' ' 23' ' ' ASP . 11.1 t-20 -98.04 -178.38 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -108.46 143.58 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 85.8 1.12 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 1.032 ' HB3' ' O ' ' I' ' 30' ' ' ALA . . . -167.33 -118.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.583 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -146.44 144.96 20.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 1.4 mt -146.88 145.4 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.854 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.0 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.854 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.7 mp -147.58 145.47 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.346 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.655 ' O ' HG23 ' H' ' 36' ' ' VAL . 8.3 ptt? -144.97 143.22 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.003 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.971 ' O ' ' HA ' ' G' ' 36' ' ' VAL . 1.4 t -164.78 163.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 111.228 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' I' ' 37' ' ' GLY . . . 155.18 -156.54 27.01 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' I' ' 38' ' ' GLY . . . -148.36 145.01 13.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.944 ' H ' ' HA ' ' I' ' 39' ' ' VAL . 16.4 t -114.61 122.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.46 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.603 ' H ' HG22 ' G' ' 39' ' ' VAL . 2.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.554 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' H' ' 5' ' ' ARG . 31.6 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.17 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.65 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -137.1 -63.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' I' ' 5' ' ' ARG . 57.5 t80 58.49 177.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' I' ' 4' ' ' PHE . 22.9 ttt180 70.63 146.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.546 ' N ' ' CD2' ' I' ' 6' ' ' HIS . 2.4 m170 -84.35 -143.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.561 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' I' ' 8' ' ' SER . 81.0 m-20 55.08 -113.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.427 ' O ' ' O ' ' I' ' 7' ' ' ASP . 7.6 t 58.04 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 143.03 11.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.907 ' O ' ' C ' ' J' ' 10' ' ' TYR . 6.2 t80 -147.58 146.66 29.48 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.693 ' N ' ' CD1' ' I' ' 10' ' ' TYR . 65.8 mt-10 -148.72 145.83 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' J' ' 12' ' ' VAL . 74.8 t -111.37 115.25 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.363 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' H' ' 11' ' ' GLU . 2.2 m-70 -94.43 163.73 13.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.52 ' CD2' ' CG1' ' J' ' 18' ' ' VAL . 18.2 p-80 -166.41 -178.05 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -143.25 -53.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -99.96 -75.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 tp -145.75 143.64 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.7 145.8 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.691 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 15.4 t80 -157.54 155.56 30.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 1.108 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 160.4 -158.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 179.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.81 124.74 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -107.13 96.57 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.762 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 38.0 t70 -115.64 124.03 49.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.221 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.518 ' O ' ' CA ' ' J' ' 25' ' ' GLY . 2.2 t -136.44 165.98 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.695 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.643 ' C ' HG11 ' H' ' 24' ' ' VAL . . . 104.79 -59.74 0.44 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.478 ' O ' ' O ' ' J' ' 25' ' ' GLY . 0.2 OUTLIER -169.89 141.47 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.481 ' ND2' ' CG ' ' H' ' 23' ' ' ASP . 34.0 m-20 -117.63 158.64 24.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 162.08 17.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.31 105.59 1.68 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 1.032 ' O ' ' HB3' ' H' ' 30' ' ' ALA . . . -156.9 -145.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG23 ' J' ' 31' ' ' ILE . 84.5 mt -145.24 146.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.086 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.426 HD12 ' HZ3' ' H' ' 28' ' ' LYS . 4.1 mt -147.07 144.84 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.955 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -152.07 149.67 21.4 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.955 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -157.19 156.0 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 111.159 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.637 ' SD ' ' SD ' ' E' ' 35' ' ' MET . 1.7 ttt -148.68 146.2 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.622 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.885 ' H ' ' CG2' ' H' ' 36' ' ' VAL . 0.5 OUTLIER -155.04 155.98 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 111.386 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' H' ' 37' ' ' GLY . . . 63.5 69.93 1.19 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . 0.533 ' O ' ' HA2' ' H' ' 38' ' ' GLY . . . -62.3 -73.05 0.56 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.751 -0.539 . . . . 0.0 111.751 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.944 ' HA ' ' H ' ' H' ' 39' ' ' VAL . 0.7 OUTLIER -128.53 161.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.648 ' HA ' ' H ' ' J' ' 40' ' ' VAL . 32.2 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.23 52.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.658 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' J' ' 5' ' ' ARG . 4.9 mm-40 -104.66 30.78 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -42.74 97.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' J' ' 3' ' ' GLU . 79.3 mtt85 49.52 -177.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.05 178.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' J' ' 8' ' ' SER . 7.5 p-10 -141.69 -114.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.444 ' O ' ' OG ' ' J' ' 8' ' ' SER . 0.3 OUTLIER -36.56 108.73 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -58.76 -68.27 1.77 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.907 ' C ' ' O ' ' I' ' 10' ' ' TYR . 3.6 m-85 -161.18 161.9 31.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.2 pm0 -154.65 152.03 29.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' I' ' 12' ' ' VAL . 14.7 t 77.1 134.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.58 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.9 t60 -113.03 -73.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.466 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.2 t-80 155.13 124.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.568 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -172.57 -135.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -50.6 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -149.66 146.96 27.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.52 ' CG1' ' CD2' ' I' ' 14' ' ' HIS . 34.2 m -150.66 149.66 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.666 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 7.2 m-85 -152.46 149.77 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.666 ' CG ' ' C ' ' J' ' 19' ' ' PHE . 0.1 OUTLIER 169.48 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.38 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' J' ' 22' ' ' GLU . 1.2 mp0 -125.61 110.63 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -130.12 162.96 27.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.399 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.625 ' C ' ' H ' ' J' ' 26' ' ' SER . 2.2 p -44.13 160.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.697 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.523 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -53.96 1.01 0.04 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.625 ' H ' ' C ' ' J' ' 24' ' ' VAL . 1.6 t -83.47 96.91 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.543 HD21 ' CG ' ' I' ' 23' ' ' ASP . 3.4 m-80 -109.8 177.33 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -99.24 127.34 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 95.17 1.8 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.435 ' H ' ' CB ' ' I' ' 30' ' ' ALA . . . -169.31 -106.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.51 HG23 ' HB ' ' I' ' 31' ' ' ILE . 9.2 mt -147.09 147.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -149.76 146.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.262 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.4 22.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' I' ' 34' ' ' LEU . 2.5 mt -151.18 147.86 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 1.03 ' O ' HG13 ' J' ' 36' ' ' VAL . 4.6 ptm -151.95 149.68 29.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 1.03 HG13 ' O ' ' J' ' 35' ' ' MET . 0.0 OUTLIER 169.64 -166.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.308 0.575 . . . . 0.0 111.106 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 1.082 ' HA2' ' H ' ' I' ' 37' ' ' GLY . . . 153.94 -154.18 25.33 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . 0.653 ' O ' ' O ' ' I' ' 39' ' ' VAL . . . -151.98 150.21 22.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.605 ' O ' HG23 ' J' ' 39' ' ' VAL . 5.1 m -107.59 120.71 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.648 ' H ' ' HA ' ' I' ' 40' ' ' VAL . 2.3 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 8' ' ' SER . 30.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.744 0.307 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.59 68.79 1.51 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -151.97 149.77 29.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.68 150.41 31.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' B' ' 13' ' ' HIS . 3.5 t -113.1 148.02 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -173.92 153.7 2.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.5 t-80 -172.86 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 38.2 mt-30 -145.77 -175.88 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 41.6 mtpt 42.77 -98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -145.55 143.99 30.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.112 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 14' ' ' HIS . 72.0 t -148.53 146.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.625 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.663 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -147.69 146.39 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.836 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 38.0 m-85 -156.12 154.19 30.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' B' ' 34' ' ' LEU . . . -149.47 101.38 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.443 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.42 173.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.2 p30 -98.46 140.45 32.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.23 111.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.46 -80.55 0.27 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -139.62 130.47 26.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.626 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.76 130.65 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -97.89 -166.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.01 92.55 0.25 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.39 -169.86 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 mt -145.94 144.81 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.298 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.1 pp -148.4 146.9 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.53 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 147.7 18.22 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.887 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.3 146.79 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.591 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ttt -149.47 146.41 27.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.22 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.624 HG12 HG22 ' B' ' 36' ' ' VAL . 9.0 m -150.81 151.26 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 148.25 19.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.05 149.9 21.78 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.07 149.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.447 ' O ' ' CE1' ' B' ' 4' ' ' PHE . . . -159.12 -174.73 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.3 -30.71 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' B' ' 2' ' ' ALA . 14.7 m-85 58.52 -161.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER 44.14 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.487 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.517 ' HD1' ' C ' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -127.14 171.19 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 6' ' ' HIS . 10.9 t70 59.63 126.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.585 ' O ' ' N ' ' A' ' 8' ' ' SER . 50.0 m -92.11 -29.93 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.32 68.46 1.65 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -146.98 145.53 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.306 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -154.81 152.42 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.94 133.1 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.445 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.5 t60 -164.1 131.19 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.575 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 0.0 OUTLIER -148.24 -153.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -129.16 170.63 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.9 mptp? 56.5 -99.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.37 144.5 29.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.332 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' B' ' 14' ' ' HIS . 58.2 t -151.12 149.5 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -158.8 156.27 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.836 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.62 -169.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.16 114.42 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.108 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.01 134.98 33.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 65.0 t0 -150.69 111.97 4.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.165 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -178.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.12 -87.4 1.35 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -159.3 114.83 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.302 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -79.71 152.34 29.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.41 174.75 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.458 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.2 94.59 0.55 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -143.84 -158.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 mt -145.25 144.49 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.211 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.89 145.67 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.4 153.3 24.71 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 34' ' ' LEU . 2.0 pt? -158.54 157.11 31.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.91 148.92 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.267 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.624 HG22 HG12 ' A' ' 36' ' ' VAL . 32.5 m -151.24 151.16 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.95 149.97 21.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.03 148.66 20.16 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.86 143.18 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.559 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.82 133.86 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.21 146.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.499 ' CD2' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -156.19 153.33 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.7 ' H ' ' HB3' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 170.43 -169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.44 . . . . 0.0 111.232 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.04 123.34 41.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CE2' ' C' ' 20' ' ' PHE . 64.2 mm-40 -94.77 117.23 29.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' D' ' 23' ' ' ASP . 10.8 t70 -141.1 108.45 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.725 HG12 ' H ' ' C' ' 25' ' ' GLY . 2.9 t -122.86 176.15 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.529 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.725 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.58 -96.21 2.11 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -147.62 119.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.592 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' C' ' 28' ' ' LYS . 36.8 t30 -80.96 173.61 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -120.64 167.62 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.511 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.03 96.96 1.84 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.765 ' C ' HD12 ' C' ' 31' ' ' ILE . . . -152.17 -141.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.765 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -145.19 144.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.157 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -146.12 144.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.856 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.35 146.06 15.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.856 HD12 ' C ' ' C' ' 33' ' ' GLY . 5.7 mp -149.75 148.37 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 110.705 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 35' ' ' MET . 0.0 OUTLIER -149.65 147.06 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.605 HG12 HG22 ' D' ' 36' ' ' VAL . 27.6 m -153.12 153.13 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.17 151.38 23.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.0 148.36 19.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.53 HG23 ' O ' ' C' ' 39' ' ' VAL . 6.1 m -120.12 125.1 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 39' ' ' VAL . 29.2 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.775 0.321 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' D' ' 20' ' ' PHE . 2.8 p -147.54 145.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CD2' HG21 ' E' ' 36' ' ' VAL . 59.1 t80 -155.11 152.61 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.711 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.7 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER 172.16 -171.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.018 0.437 . . . . 0.0 111.28 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 127.67 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -97.17 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.702 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 33.9 t0 -133.4 105.47 6.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.383 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.787 HG12 ' H ' ' D' ' 25' ' ' GLY . 3.9 t -141.76 178.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.787 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 92.15 -86.61 1.24 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -144.59 109.4 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.445 ' N ' HD22 ' D' ' 27' ' ' ASN . 1.4 m-80 -94.2 171.26 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -114.24 163.74 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 102.99 2.81 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -157.16 -129.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.814 ' O ' HD13 ' D' ' 32' ' ' ILE . 9.1 tt -145.1 144.03 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.814 HD13 ' O ' ' D' ' 31' ' ' ILE . 6.3 mm -146.35 145.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.315 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.73 147.31 17.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mp -150.23 148.43 28.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.707 0.289 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' E' ' 35' ' ' MET . 4.1 ppp? -150.19 148.11 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.623 HG12 HG22 ' E' ' 36' ' ' VAL . 34.2 m -153.74 153.22 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.547 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.25 153.15 24.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.41 149.97 21.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.85 154.43 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.864 0.364 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 5.4 m-85 -153.65 151.45 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.206 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.708 ' HD1' ' N ' ' E' ' 20' ' ' PHE . 0.0 OUTLIER -179.07 179.35 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.128 0.49 . . . . 0.0 111.356 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 119.57 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -92.02 113.46 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -136.21 108.87 7.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 24' ' ' VAL . 0.2 OUTLIER -166.75 156.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . 85.17 -34.98 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -143.13 105.43 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' E' ' 27' ' ' ASN . 0.6 OUTLIER -137.3 172.86 12.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 151.87 51.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.93 99.06 2.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -156.76 -116.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.553 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.801 ' O ' HD13 ' E' ' 32' ' ' ILE . 3.2 pt -145.31 144.62 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.801 HD13 ' O ' ' E' ' 31' ' ' ILE . 6.5 mm -146.0 144.47 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.15 149.52 21.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -150.6 148.41 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.45 ' O ' HG13 ' E' ' 36' ' ' VAL . 12.3 ptm -151.69 149.44 29.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' D' ' 19' ' ' PHE . 29.4 m -156.6 156.06 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.76 153.33 24.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.55 19.85 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -115.81 154.8 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.571 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . 0.984 ' N ' ' HA ' ' G' ' 8' ' ' SER . . . . . . . . 0 CA--C 1.522 0.513 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.43 ' H ' ' H ' ' G' ' 10' ' ' TYR . 1.0 OUTLIER -163.81 161.57 23.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.255 0.55 . . . . 0.0 111.458 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.9 pm0 -147.24 145.65 29.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.578 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.989 ' HB ' ' H ' ' G' ' 13' ' ' HIS . 98.6 t -71.35 92.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.497 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.458 ' HA ' ' ND1' ' G' ' 13' ' ' HIS . 25.7 p-80 -96.91 134.0 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 176.81 172.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' G' ' 15' ' ' GLN . 17.9 mt-30 -148.14 -177.52 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.3 mttt 55.15 -120.73 1.65 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.759 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 0.3 OUTLIER -147.63 144.48 28.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.025 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 1.111 ' O ' HG23 ' G' ' 18' ' ' VAL . 10.0 p 162.19 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.996 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -159.96 159.35 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' G' ' 20' ' ' PHE . 11.3 m-85 -161.87 159.9 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.762 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.718 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -168.46 134.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.69 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 9.9 pt-20 -177.17 132.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 146.65 37.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' F' ' 25' ' ' GLY . 0.2 OUTLIER -136.94 162.92 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.581 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 100.23 -44.93 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' G' ' 27' ' ' ASN . 1.2 m -168.19 91.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.52 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -96.73 109.7 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -103.96 -158.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.488 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.28 89.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -142.8 -178.47 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.402 HG21 HD13 ' F' ' 31' ' ' ILE . 9.7 mt -146.65 145.14 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.397 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.9 145.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 146.12 15.41 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.916 ' H ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.77 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 110.555 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 6.6 tpt -151.45 148.92 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' G' ' 36' ' ' VAL . 14.3 m -151.6 151.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.15 146.42 15.77 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.27 153.32 24.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.56 139.07 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.309 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.577 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' G' ' 6' ' ' HIS . 26.2 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.78 86.17 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . 0.515 ' O ' ' CE1' ' G' ' 6' ' ' HIS . 4.8 mt-10 61.8 124.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -68.11 156.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 50.97 70.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . 0.628 ' N ' ' ND1' ' G' ' 6' ' ' HIS . 0.5 OUTLIER -60.54 120.56 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' G' ' 8' ' ' SER . 39.5 t0 -119.94 -22.89 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.984 ' HA ' ' N ' ' F' ' 9' ' ' GLY . 0.9 OUTLIER 35.85 42.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . 1.286 ' O ' ' N ' ' H' ' 10' ' ' TYR . . . -66.26 -71.45 0.9 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.988 ' HB2' ' O ' ' G' ' 9' ' ' GLY . 0.1 OUTLIER 146.98 -143.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' F' ' 11' ' ' GLU . 3.6 mt-10 -163.89 162.12 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.453 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 1.008 ' O ' HG23 ' H' ' 12' ' ' VAL . 39.1 t 124.84 59.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.989 ' H ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 t-80 -132.4 162.8 30.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.501 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.984 ' CG ' ' H ' ' G' ' 15' ' ' GLN . 81.7 t60 176.0 -164.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.524 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.984 ' H ' ' CG ' ' G' ' 14' ' ' HIS . 13.6 tt0 -139.31 -67.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -90.58 -87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.629 ' N ' ' NE2' ' G' ' 14' ' ' HIS . 1.9 pp -150.05 146.6 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.027 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 1.111 HG23 ' O ' ' F' ' 18' ' ' VAL . 11.2 p 174.58 -173.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.22 0.534 . . . . 0.0 111.32 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 1.017 ' H ' HG22 ' G' ' 18' ' ' VAL . 9.6 t80 -148.06 149.04 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' F' ' 20' ' ' PHE . 9.5 m-85 -144.69 142.82 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' G' ' 19' ' ' PHE . . . -153.37 128.83 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.237 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.69 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.2 OUTLIER 173.22 155.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.856 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.422 ' OD1' ' OD1' ' G' ' 27' ' ' ASN . 3.5 p-10 -102.36 149.2 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.468 HG23 HG13 ' F' ' 24' ' ' VAL . 14.3 p -134.4 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.688 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.29 -69.21 0.23 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.2 p -155.84 95.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.534 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' F' ' 26' ' ' SER . 39.7 t30 -92.04 136.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -109.8 -175.1 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.35 93.54 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.779 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -141.71 -172.27 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -146.2 145.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.294 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.98 145.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.531 ' C ' HD23 ' G' ' 34' ' ' LEU . . . -153.83 151.36 23.1 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.718 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.1 OUTLIER -159.4 159.31 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.912 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' G' ' 35' ' ' MET . 3.8 ppp? -153.95 150.52 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.249 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' F' ' 36' ' ' VAL . 12.3 m -154.6 155.65 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.08 151.42 23.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.9 146.17 15.54 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.66 160.83 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.617 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.631 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.38 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.69 2.65 6.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.45 72.88 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.34 104.8 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -42.43 138.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.0 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' G' ' 8' ' ' SER . 1.3 t -176.02 173.47 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' I' ' 9' ' ' GLY . . . 66.13 67.08 2.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 1.286 ' N ' ' O ' ' G' ' 9' ' ' GLY . 32.7 p90 -138.59 136.43 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 1.264 ' O ' HG13 ' H' ' 12' ' ' VAL . 0.5 OUTLIER -57.36 -70.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.628 0.251 . . . . 0.0 110.675 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 1.264 HG13 ' O ' ' H' ' 11' ' ' GLU . 30.4 m 135.83 -128.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER 157.5 -161.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' H' ' 15' ' ' GLN . 7.7 t-80 78.57 107.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.63 ' OE1' ' ND1' ' I' ' 14' ' ' HIS . 0.0 OUTLIER 158.65 172.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.683 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -96.05 -62.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 1.044 ' O ' HG13 ' H' ' 18' ' ' VAL . 2.1 pp -148.7 145.08 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.737 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 1.044 HG13 ' O ' ' H' ' 17' ' ' LEU . 0.0 OUTLIER 177.64 -177.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.362 0.601 . . . . 0.0 111.663 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.83 ' O ' ' CD2' ' H' ' 20' ' ' PHE . 4.0 t80 -149.41 148.62 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.705 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.83 ' CD2' ' O ' ' H' ' 19' ' ' PHE . 27.4 m-85 -150.75 150.59 31.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.01 107.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 1.7 pm0 -166.1 158.69 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 1.3 p30 -122.73 164.49 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.266 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.776 ' CG1' ' N ' ' H' ' 25' ' ' GLY . 8.4 t -115.69 177.49 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.558 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.776 ' N ' ' CG1' ' H' ' 24' ' ' VAL . . . 82.81 -86.86 1.47 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -157.73 131.43 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.422 HD21 ' HA ' ' G' ' 27' ' ' ASN . 2.7 p-10 -97.04 -173.2 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -128.22 -179.36 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.644 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' G' ' 28' ' ' LYS . . . -94.08 104.39 3.15 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.977 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -151.2 -145.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.639 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.405 HG21 HD13 ' H' ' 31' ' ' ILE . 25.4 mt -144.72 143.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.0 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.94 145.58 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.591 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -147.58 144.24 12.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.814 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -150.72 150.74 31.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' H' ' 35' ' ' MET . 0.7 OUTLIER -146.97 144.5 29.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.091 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.771 HG12 ' H ' ' I' ' 36' ' ' VAL . 19.9 m -152.21 151.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.736 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.66 150.33 22.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.23 146.68 16.54 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.38 130.42 63.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.594 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.41 -169.52 0.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' I' ' 4' ' ' PHE . 23.9 mm-40 56.67 109.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' I' ' 3' ' ' GLU . 31.8 m-85 -163.65 164.85 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 57.37 160.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -82.76 -0.38 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.55 -65.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 22.0 p -44.79 121.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -148.48 146.81 16.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -145.14 144.73 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.64 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 1.073 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 9.7 pt-20 -144.68 142.99 30.5 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.57 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.641 ' H ' ' HA ' ' J' ' 11' ' ' GLU . 0.4 OUTLIER -124.15 140.33 47.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.601 ' O ' ' CB ' ' H' ' 13' ' ' HIS . 8.5 t-160 -152.49 145.09 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.183 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.63 ' ND1' ' OE1' ' H' ' 15' ' ' GLN . 79.3 m-70 -159.08 -163.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.919 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' I' ' 16' ' ' LYS . 28.8 tt0 -128.14 -126.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.663 ' C ' ' O ' ' I' ' 15' ' ' GLN . 62.8 tttt -9.35 -88.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' H' ' 17' ' ' LEU . 2.2 pp -147.54 144.73 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' I' ' 14' ' ' HIS . 0.5 OUTLIER -150.48 149.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.766 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.619 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 29.5 t80 -155.73 152.27 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.724 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 169.12 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 120.47 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.466 ' O ' ' OE1' ' J' ' 22' ' ' GLU . 3.3 mp0 -115.74 89.2 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' J' ' 23' ' ' ASP . 44.5 t0 -100.23 146.38 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.797 HG12 ' H ' ' I' ' 25' ' ' GLY . 6.7 t -139.77 176.95 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.707 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.797 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 99.08 -97.12 1.79 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.546 ' H ' ' HA3' ' J' ' 25' ' ' GLY . 93.8 p -143.89 107.92 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.56 166.39 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.797 ' CD ' ' H ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -103.69 129.64 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.42 102.74 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.977 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -163.6 -126.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.626 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -145.21 144.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.03 147.06 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.859 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.3 149.67 21.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.859 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.9 mp -150.62 149.75 30.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.426 ' C ' HG13 ' I' ' 36' ' ' VAL . 5.4 ptt? -149.07 146.59 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.771 ' H ' HG12 ' H' ' 36' ' ' VAL . 29.8 m -153.34 152.66 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.665 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 150.9 22.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.11 147.2 17.41 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 m -116.49 138.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.576 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.24 118.06 7.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -158.31 -12.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -87.61 156.75 19.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -86.37 0.19 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -43.89 -46.14 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.94 177.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.479 ' CB ' ' CE1' ' I' ' 10' ' ' TYR . 0.0 OUTLIER 42.32 91.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . 0.498 ' CA ' ' HA2' ' I' ' 9' ' ' GLY . . . -63.81 -71.69 0.81 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 1.073 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 29.1 t80 -156.2 154.65 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.573 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.765 ' O ' HG12 ' J' ' 12' ' ' VAL . 0.0 OUTLIER -157.11 157.74 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.765 HG12 ' O ' ' J' ' 11' ' ' GLU . 0.3 OUTLIER 87.05 118.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.795 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' J' ' 13' ' ' HIS . 53.6 t60 -126.19 17.44 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' J' ' 15' ' ' GLN . 1.0 OUTLIER 77.42 -152.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.551 ' CB ' ' O ' ' J' ' 14' ' ' HIS . 7.1 tp60 85.58 126.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.689 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' I' ' 16' ' ' LYS . 32.7 mmtm 40.07 -104.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.87 146.35 27.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -149.16 148.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 8.1 t80 -153.02 150.55 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.229 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 3.6 p90 175.77 -174.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.264 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.79 130.19 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.429 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' I' ' 22' ' ' GLU . 37.8 mm-40 -135.16 95.7 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.482 ' O ' ' OD1' ' I' ' 23' ' ' ASP . 16.8 t70 -123.95 160.07 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.35 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' J' ' 26' ' ' SER . 18.8 m -53.98 142.87 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.619 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.546 ' HA3' ' H ' ' I' ' 26' ' ' SER . . . -40.57 -22.4 0.05 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.7 OUTLIER -85.82 128.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.64 178.05 6.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.44 77.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.29 6.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.929 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -88.91 -12.5 41.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 tt -149.43 146.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.269 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -149.36 146.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.05 150.68 22.68 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.89 146.16 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.228 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.79 148.53 29.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.519 ' H ' HG12 ' I' ' 36' ' ' VAL . 17.4 m -155.23 153.41 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.96 153.25 24.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.18 150.77 22.67 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -106.26 151.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB3' ' H ' ' B' ' 9' ' ' GLY . 3.2 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.722 0.296 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.33 69.75 1.23 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -153.63 151.21 29.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.593 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -154.79 154.03 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' OH ' ' B' ' 10' ' ' TYR . 15.4 m -119.97 114.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 10.3 p80 -155.82 166.23 34.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.584 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 22.9 t-160 -175.78 -116.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.624 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 2.9 tt0 -157.49 171.23 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.612 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 60.7 mttm 53.12 -95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' C ' ' A' ' 17' ' ' LEU . 2.8 tt -145.61 144.95 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.032 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.79 ' O ' HG23 ' B' ' 18' ' ' VAL . 37.3 t -151.1 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.394 . . . . 0.0 110.64 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' CG2' ' A' ' 36' ' ' VAL . 2.2 p90 -149.76 147.86 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.403 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' B' ' 20' ' ' PHE . 26.8 m-85 -149.65 147.18 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.389 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.92 102.93 3.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' B' ' 22' ' ' GLU . 3.4 pt-20 171.76 157.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' CG ' HD22 ' A' ' 27' ' ' ASN . 1.8 p-10 -72.71 132.99 44.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.52 114.51 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.73 -70.38 0.5 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.83 117.61 8.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -88.91 121.55 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -100.53 -168.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.72 80.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.01 -171.74 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.295 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mt -146.52 144.56 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.102 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.739 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.9 pp -149.56 148.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' B' ' 33' ' ' GLY . . . -152.2 149.74 21.48 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.862 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 pt? -153.8 152.83 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.012 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 1.032 ' O ' HG13 ' A' ' 36' ' ' VAL . 28.5 ttt -156.47 152.64 27.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.261 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.069 ' CG1' HG23 ' B' ' 36' ' ' VAL . 0.0 OUTLIER 170.25 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.752 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.762 ' H ' ' HA2' ' B' ' 37' ' ' GLY . . . 67.63 69.67 1.32 Allowed Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.562 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . -142.98 140.52 9.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 39' ' ' VAL . 2.4 p -64.4 53.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 110.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.574 ' N ' ' O ' ' A' ' 38' ' ' GLY . 33.4 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' B' ' 4' ' ' PHE . 14.2 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.71 -10.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.401 ' H ' ' H ' ' B' ' 4' ' ' PHE . 72.2 tt0 -164.23 -13.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' B' ' 1' ' ' ASP . 89.9 m-85 51.06 178.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 6' ' ' HIS . 75.1 mtt85 -76.77 -115.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 5' ' ' ARG . 76.6 m80 56.72 155.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.664 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' B' ' 8' ' ' SER . 2.7 p30 -68.8 -171.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 7' ' ' ASP . 1.4 p 156.53 143.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.411 ' H ' ' HB3' ' A' ' 8' ' ' SER . . . -148.0 145.94 15.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.632 ' OH ' HG12 ' B' ' 12' ' ' VAL . 45.2 t80 -147.77 145.73 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.69 154.02 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.632 HG12 ' OH ' ' B' ' 10' ' ' TYR . 2.7 m -120.62 160.01 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.805 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 9.1 t60 -178.69 129.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.705 ' CD2' HG21 ' B' ' 18' ' ' VAL . 39.5 m-70 -141.03 -147.96 0.23 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.566 ' N ' ' OE1' ' B' ' 15' ' ' GLN . 19.1 mp0 -128.29 -109.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.893 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 65.6 mmtt -37.44 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.404 HD12 HD22 ' C' ' 17' ' ' LEU . 6.4 tt -148.08 146.11 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.534 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' VAL . 9.5 p -148.55 146.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 8.0 p90 -154.72 152.68 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.73 ' H ' ' HB3' ' C' ' 20' ' ' PHE . 10.7 p90 -168.78 168.89 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.32 116.99 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.225 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.9 pt-20 -178.87 169.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.59 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 41.9 p30 -117.32 155.07 30.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.388 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.48 ' H ' HG13 ' C' ' 24' ' ' VAL . 0.3 OUTLIER -99.24 108.34 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.493 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.1 -94.92 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -154.49 115.78 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.584 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.28 154.76 22.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -93.17 -178.97 4.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.7 105.78 1.56 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.63 -160.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.683 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 31' ' ' ILE . 26.2 mt -145.77 145.86 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.164 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 11.7 mt -147.8 145.79 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.282 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -156.18 153.81 25.03 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 3.2 pp -157.63 156.63 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 1.066 ' O ' HG22 ' B' ' 36' ' ' VAL . 1.9 tmt? -152.56 151.27 30.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.69 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 1.069 HG23 ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER 155.7 -151.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.38 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.762 ' HA2' ' H ' ' A' ' 37' ' ' GLY . . . 153.55 -153.6 24.95 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . -144.0 142.77 11.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -76.62 141.27 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.86 ' H ' HG23 ' A' ' 39' ' ' VAL . 6.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.663 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.9 p30 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.84 -74.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.404 HD22 HD12 ' B' ' 17' ' ' LEU . 6.7 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.668 0.271 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.751 HG12 HG22 ' D' ' 18' ' ' VAL . 3.6 p -150.64 148.24 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.636 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -158.1 156.36 30.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.73 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.59 -169.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.55 112.59 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.314 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.93 116.72 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.693 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 47.1 t0 -140.12 119.65 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.265 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.587 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.6 OUTLIER -128.58 179.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.624 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.587 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 95.47 -87.48 1.03 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p -157.58 108.64 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.464 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 9.7 t-20 -71.93 -176.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.563 ' HD2' ' H ' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -131.44 161.8 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.555 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.7 95.01 1.45 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.772 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -148.0 -139.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.57 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -144.48 143.6 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 32' ' ' ILE . 11.5 mt -146.2 144.73 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -150.23 148.09 18.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.684 HD23 ' N ' ' C' ' 34' ' ' LEU . 1.9 pt? -153.84 153.72 32.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.446 ' HB2' HG13 ' B' ' 36' ' ' VAL . 12.5 ptm -148.03 145.17 28.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.077 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.995 ' H ' HG21 ' B' ' 36' ' ' VAL . 18.4 m -150.09 146.85 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.35 153.73 25.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 149.53 21.24 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.402 ' CG2' HG23 ' D' ' 39' ' ' VAL . 6.3 m -94.49 120.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.521 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.382 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.751 HG22 HG12 ' C' ' 18' ' ' VAL . 70.2 t -149.53 149.0 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.608 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 28.3 t80 -154.81 151.65 28.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' E' ' 20' ' ' PHE . 0.4 OUTLIER 177.52 -176.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 111.306 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.36 135.98 53.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -113.82 122.13 46.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.787 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -143.92 116.27 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.236 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.518 HG13 ' H ' ' C' ' 24' ' ' VAL . 0.2 OUTLIER -138.06 -174.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.517 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 88.71 -92.13 1.78 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -146.17 106.37 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -86.03 165.66 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.554 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -106.01 153.62 21.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.42 101.8 2.15 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.772 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.35 -127.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 0.0 110.552 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.411 HD13 HG21 ' D' ' 31' ' ' ILE . 12.3 mt -144.31 143.61 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.208 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' D' ' 32' ' ' ILE . 7.0 mt -146.94 145.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.374 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.488 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -149.75 148.29 19.44 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.883 HD23 ' N ' ' D' ' 34' ' ' LEU . 0.7 OUTLIER -152.32 149.19 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' E' ' 35' ' ' MET . 22.6 ptp -150.13 149.36 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.623 HG21 ' CG ' ' C' ' 19' ' ' PHE . 31.4 m -151.89 151.01 12.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.09 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.53 150.19 22.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' C' ' 39' ' ' VAL . 1.7 p -106.61 129.96 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.583 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.894 0.378 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 8.8 m-85 -155.02 153.28 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.647 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER 175.75 -174.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.81 112.46 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.467 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' E' ' 22' ' ' GLU . 1.4 mp0 -101.46 112.01 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.72 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' E' ' 22' ' ' GLU . 90.0 m-20 -137.57 132.1 32.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.63 108.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.85 37.41 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -135.95 149.33 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.602 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -137.61 172.47 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -127.97 -153.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.37 175.03 0.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -70.73 5.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -148.38 145.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.331 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -147.53 146.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -151.37 149.09 20.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mt -149.57 148.13 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.444 ' O ' HG13 ' E' ' 36' ' ' VAL . 2.5 ptt? -152.64 149.82 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.612 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.58 HG22 HG12 ' D' ' 36' ' ' VAL . 27.1 m -156.0 155.57 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.98 153.3 24.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.89 152.91 24.45 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.61 163.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.615 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.549 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.702 ' HA ' ' HA ' ' G' ' 10' ' ' TYR . 13.3 p90 -146.11 144.88 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' G' ' 11' ' ' GLU . 0.0 OUTLIER -60.51 -72.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.995 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.579 HG23 ' H ' ' G' ' 13' ' ' HIS . 27.3 m -147.85 158.66 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.638 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 30.0 t-80 -171.3 82.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.65 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 1.5 m170 162.22 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' F' ' 14' ' ' HIS . 56.0 mm-40 75.4 127.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 74.0 mttt -56.6 -61.98 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.662 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.2 pp -148.48 144.75 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.664 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 1.051 HG22 ' H ' ' F' ' 19' ' ' PHE . 4.5 p 170.62 -169.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.215 0.531 . . . . 0.0 111.287 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 1.051 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -149.6 149.77 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.168 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 1.013 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 27.7 m-85 -148.7 145.29 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.533 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.53 112.72 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.468 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 176.44 177.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.622 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 1.2 p30 -101.21 133.53 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.615 ' H ' HG13 ' G' ' 24' ' ' VAL . 6.3 p -104.55 147.79 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.521 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -56.04 2.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -156.27 117.96 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.705 0.288 . . . . 0.0 110.624 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -102.37 144.15 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.529 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 11.5 mptt -107.03 -172.06 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.37 108.89 2.64 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.5 -164.03 1.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.705 0.288 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -143.32 142.2 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.99 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.75 146.69 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.434 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -147.2 145.99 15.32 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.859 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -149.09 146.76 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.57 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.454 ' O ' ' HA ' ' G' ' 35' ' ' MET . 31.8 ttm -150.65 148.07 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.775 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 11.5 m -152.31 152.64 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.915 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.32 147.95 18.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.81 150.54 22.44 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.438 HG13 HG23 ' G' ' 39' ' ' VAL . 7.6 p -128.9 152.72 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.554 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.408 ' N ' HG22 ' F' ' 39' ' ' VAL . 7.2 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.595 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.4 164.72 13.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.97 -1.52 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 50.65 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . 0.432 ' H ' ' HD2' ' G' ' 5' ' ' ARG . 2.4 mpt_? -83.03 -124.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 m80 52.57 12.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' NE ' ' H' ' 5' ' ' ARG . 1.8 m-20 64.88 164.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.539 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.7 t -72.04 -54.24 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.57 67.88 1.88 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.903 ' OH ' HG11 ' H' ' 24' ' ' VAL . 3.8 p90 -151.35 149.82 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.428 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' F' ' 11' ' ' GLU . 0.5 OUTLIER -152.37 152.29 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.456 ' N ' ' HG2' ' G' ' 11' ' ' GLU . 0.8 OUTLIER -119.57 150.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.66 ' O ' ' CG ' ' G' ' 14' ' ' HIS . 1.7 t-80 179.82 159.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 30.4 m80 -162.81 -146.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' G' ' 17' ' ' LEU . 1.3 mp0 -138.26 -173.68 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 27.9 mmtp 33.56 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' G' ' 15' ' ' GLN . 1.3 pp -147.01 144.38 29.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.656 HG21 ' CB ' ' G' ' 14' ' ' HIS . 33.8 t -155.38 153.49 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -163.27 161.92 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 1.013 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 19.9 p90 161.96 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.73 127.41 32.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.318 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 2.4 tp10 -98.22 115.22 27.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 7.3 t70 -130.2 108.91 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.299 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.72 HG12 ' H ' ' G' ' 25' ' ' GLY . 1.4 t -126.4 -158.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.679 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.72 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 75.21 -82.03 0.91 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -152.2 110.96 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.649 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' F' ' 28' ' ' LYS . 63.6 t-20 -87.96 92.37 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.634 ' CD ' ' H ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -72.56 -179.13 2.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.81 88.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.46 -171.15 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.527 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -145.32 144.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.114 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.28 145.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 150.26 22.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.778 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.0 pt? -156.06 154.56 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -149.46 148.74 29.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.622 HG12 HG12 ' F' ' 36' ' ' VAL . 7.3 p -153.95 152.09 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.664 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.94 152.48 24.13 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.37 147.49 17.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.538 ' CG1' HG13 ' H' ' 39' ' ' VAL . 2.5 p -126.8 146.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.571 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.23 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 62.22 173.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' H' ' 5' ' ' ARG . 60.2 t80 -169.65 176.71 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . 0.622 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 12.4 ttp180 70.99 140.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' H' ' 5' ' ' ARG . 1.3 m-70 -49.32 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -55.87 133.73 51.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' I' ' 8' ' ' SER . 11.0 m -98.99 -1.85 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 0.421 ' N ' ' HA3' ' I' ' 9' ' ' GLY . . . 63.68 69.39 1.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.789 ' CD1' ' CZ ' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -151.73 148.16 27.56 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.382 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 1.184 ' HA ' ' O ' ' I' ' 10' ' ' TYR . 2.7 pm0 -153.43 153.46 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.201 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.653 ' H ' ' HA ' ' I' ' 11' ' ' GLU . 78.7 t -99.81 86.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.3 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.633 ' HA ' ' HB2' ' I' ' 13' ' ' HIS . 8.0 m170 -85.14 165.72 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.437 ' NE2' ' HB3' ' I' ' 13' ' ' HIS . 4.8 p-80 177.24 -178.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.62 HE22 HE21 ' I' ' 15' ' ' GLN . 3.1 mm-40 -138.32 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' G' ' 16' ' ' LYS . 5.6 mptp? 39.01 -89.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.1 pp -144.73 142.73 30.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.886 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 3.5 t -153.11 151.01 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.936 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.549 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.5 OUTLIER -155.56 153.31 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.391 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 169.8 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.033 0.444 . . . . 0.0 111.236 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.68 132.23 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -91.22 117.36 29.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' I' ' 26' ' ' SER . 1.8 t0 -143.95 94.72 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.42 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.903 HG11 ' OH ' ' G' ' 10' ' ' TYR . 2.9 p -139.6 164.17 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.64 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.606 ' N ' HG22 ' H' ' 24' ' ' VAL . . . 100.63 -58.58 0.71 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . 0.438 ' N ' ' OE2' ' I' ' 3' ' ' GLU . 3.4 m -165.53 115.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.588 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.599 ' ND2' ' CB ' ' I' ' 26' ' ' SER . 3.5 t-20 -90.72 167.16 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.522 ' N ' ' OD1' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -126.74 168.37 14.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.31 101.68 2.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.43 -147.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.642 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -144.06 143.63 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.83 144.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.832 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.67 148.13 19.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.832 HD12 ' C ' ' H' ' 33' ' ' GLY . 5.7 mp -149.41 147.91 28.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' I' ' 35' ' ' MET . 15.4 ptm -148.11 145.32 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.305 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 36' ' ' VAL . 10.0 m -154.42 154.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.43 152.23 23.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.39 146.92 17.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.538 HG13 ' CG1' ' G' ' 39' ' ' VAL . 3.5 t -109.27 149.1 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.528 HG23 HG12 ' H' ' 39' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' CE1' ' I' ' 4' ' ' PHE . . . -42.96 108.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' I' ' 3' ' ' GLU . 1.5 pm0 -41.46 144.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' I' ' 2' ' ' ALA . 66.7 m-85 -124.12 -165.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 44.97 -161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.421 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 2.1 m-70 -95.34 115.12 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' I' ' 7' ' ' ASP . 1.2 m-20 -117.65 169.57 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.515 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.779 ' HB2' ' N ' ' J' ' 9' ' ' GLY . 0.9 OUTLIER 73.38 109.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.501 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . 0.538 ' C ' ' HA3' ' J' ' 9' ' ' GLY . . . -62.23 -68.79 1.51 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 1.254 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.1 OUTLIER -153.0 148.53 27.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 110.56 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.972 ' N ' ' H ' ' J' ' 10' ' ' TYR . 0.6 OUTLIER -153.37 151.59 30.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 110.596 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.744 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 91.3 t 111.81 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.633 ' HB2' ' HA ' ' H' ' 13' ' ' HIS . 1.6 t-160 -80.23 -152.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.566 ' O ' ' ND1' ' I' ' 14' ' ' HIS . 0.1 OUTLIER -156.7 129.17 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.62 HE21 HE22 ' H' ' 15' ' ' GLN . 2.0 mm-40 172.2 130.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.476 ' HB3' ' H ' ' I' ' 17' ' ' LEU . 15.7 tptt 38.26 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' I' ' 15' ' ' GLN . 61.1 tp -148.14 145.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.373 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -146.85 145.75 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 19.5 t80 -152.45 149.62 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.9 p90 -177.85 178.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.093 0.473 . . . . 0.0 111.426 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.83 115.21 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' I' ' 11' ' ' GLU . 15.1 mt-10 -91.65 103.37 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.12 115.28 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.534 HG11 ' N ' ' J' ' 25' ' ' GLY . 0.7 OUTLIER -42.88 137.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.411 ' C ' ' OD1' ' H' ' 23' ' ' ASP . . . 45.95 -159.95 0.23 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.599 ' CB ' ' ND2' ' H' ' 27' ' ' ASN . 3.5 t -92.86 171.83 8.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' I' ' 27' ' ' ASN . 22.0 p-10 -70.53 153.48 42.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' I' ' 30' ' ' ALA . 10.7 mmtp -75.72 -177.75 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.02 79.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' I' ' 28' ' ' LYS . . . -155.48 -145.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.3 145.5 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.29 148.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.804 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -153.11 150.02 21.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.804 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.4 mp -153.91 153.53 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.39 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' H' ' 35' ' ' MET . 14.4 ptm -151.13 148.97 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.463 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.641 HG12 HG22 ' J' ' 36' ' ' VAL . 32.9 m -154.01 153.29 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.97 155.18 26.1 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 148.14 19.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.34 121.72 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.604 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.98 -71.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 65.17 179.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 51.72 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -43.16 156.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . 0.498 ' CD2' ' OD1' ' J' ' 7' ' ' ASP . 5.6 t-160 -158.39 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . 0.742 ' HA ' ' OG ' ' I' ' 8' ' ' SER . 9.6 m-20 -69.0 -151.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' J' ' 7' ' ' ASP . 20.6 m 36.66 83.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . 0.779 ' N ' ' HB2' ' I' ' 8' ' ' SER . . . -64.6 -71.38 0.87 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 1.254 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.4 OUTLIER 161.69 -161.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.836 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.843 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 6.4 tp10 167.1 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.843 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 62.7 t -37.86 -83.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 65.2 79.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.646 ' CD2' ' H ' ' J' ' 15' ' ' GLN . 9.6 t-160 -173.51 172.67 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.646 ' H ' ' CD2' ' J' ' 14' ' ' HIS . 13.9 mt-30 47.48 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 9.7 mptt 41.78 -137.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 3.1 mt -147.03 145.15 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 m -151.04 148.5 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 6.0 m-85 -156.33 154.83 31.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.388 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.7 OUTLIER 177.04 -176.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.477 . . . . 0.0 111.198 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.34 108.46 19.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.405 ' OE2' ' OE1' ' I' ' 22' ' ' GLU . 5.9 mm-40 -96.71 101.96 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.8 128.81 25.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.395 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.615 ' C ' ' H ' ' J' ' 26' ' ' SER . 4.8 m -61.89 -165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.534 ' N ' HG11 ' I' ' 24' ' ' VAL . . . -61.69 9.86 0.1 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.615 ' H ' ' C ' ' J' ' 24' ' ' VAL . 53.0 m -82.75 88.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.7 0.286 . . . . 0.0 110.581 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -118.14 163.63 16.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -114.34 135.98 53.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.465 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.6 93.74 1.49 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -168.73 -109.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.549 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.675 ' C ' HD12 ' J' ' 32' ' ' ILE . 12.4 pt -146.14 144.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.194 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.675 HD12 ' C ' ' J' ' 31' ' ' ILE . 5.3 mp -146.45 145.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.383 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.92 149.22 20.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -151.59 150.76 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.63 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.641 HG22 HG12 ' I' ' 36' ' ' VAL . 18.5 m -156.1 155.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.69 155.39 26.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.46 152.63 24.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.43 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 17.7 m -114.81 162.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.521 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' J' ' 39' ' ' VAL . 13.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.658 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.3 68.05 1.86 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -157.85 157.3 32.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.78 150.98 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.354 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -124.96 155.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -177.81 141.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -173.01 -159.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.656 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 26.5 mt-30 -124.98 -162.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 24.1 mtpp 40.23 -103.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.3 143.53 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -151.31 148.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.612 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' CD2' ' B' ' 19' ' ' PHE . 1.5 p90 -155.96 154.73 31.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 49.7 m-85 -157.44 157.22 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' HD23 ' A' ' 34' ' ' LEU . . . -151.64 114.39 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.439 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -160.96 166.15 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 2.5 p30 -131.38 161.32 32.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.484 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -34.84 156.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 24' ' ' VAL . . . 48.2 -157.38 0.93 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -94.37 -169.78 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.472 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -78.26 113.87 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' ALA . 62.6 mttp -92.42 -156.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.82 68.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -156.13 -177.91 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -146.93 144.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.133 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 32' ' ' ILE . 27.6 pt -149.25 148.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.721 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.32 15.74 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -149.56 148.14 29.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.776 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ttp -146.54 144.0 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.239 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 m -148.43 147.54 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.19 152.18 23.79 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -112.18 133.02 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.539 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 t0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.74 175.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 64.18 46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.59 34.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -81.74 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -61.16 142.88 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' B' ' 6' ' ' HIS . 34.9 m-20 55.56 160.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.9 m -167.03 125.67 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.542 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.99 148.74 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' B' ' 10' ' ' TYR . 28.6 p90 -151.41 149.82 29.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 110.796 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.94 148.92 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.554 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 m -126.59 136.21 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' B' ' 13' ' ' HIS . 3.7 p80 -150.78 100.43 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' B' ' 15' ' ' GLN . 16.7 p80 -104.02 -142.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.563 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.639 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 30.1 tt0 -146.99 -90.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.602 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 mptp? -49.71 -86.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.2 pp -146.73 144.91 29.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.275 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.428 HG21 ' CB ' ' B' ' 14' ' ' HIS . 44.2 t -153.76 151.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.865 ' CZ ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.88 156.45 31.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.692 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 176.17 -175.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.213 0.53 . . . . 0.0 111.456 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 119.9 17.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.029 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' B' ' 20' ' ' PHE . 5.6 mp0 -98.67 140.06 33.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.161 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.729 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 29.2 t0 -152.46 118.01 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.166 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.31 -169.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.33 -89.96 1.63 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.404 ' N ' HG11 ' A' ' 24' ' ' VAL . 16.8 m -154.09 105.63 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.559 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.416 HD21 ' HG3' ' A' ' 28' ' ' LYS . 19.4 p-10 -78.24 127.77 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -101.13 -175.28 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.05 97.48 0.44 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -148.73 -170.82 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -144.64 143.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.433 ' H ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -145.82 143.67 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.468 ' C ' HD23 ' B' ' 34' ' ' LEU . . . -151.46 149.76 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.928 HD23 ' N ' ' B' ' 34' ' ' LEU . 0.9 OUTLIER -158.28 156.12 30.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' B' ' 35' ' ' MET . 4.1 ppp? -152.0 150.62 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.448 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.603 HG12 ' H ' ' C' ' 36' ' ' VAL . 25.1 m -152.35 152.03 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.6 151.67 23.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 148.52 19.82 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 87.2 t -125.46 150.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.564 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' C' ' 3' ' ' GLU . . . -81.2 154.53 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' C' ' 2' ' ' ALA . 20.5 mt-10 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.71 0.29 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.427 ' HB ' ' HE2' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -150.2 149.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.561 ' C ' ' CD2' ' C' ' 19' ' ' PHE . 2.1 t80 -152.43 149.52 28.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.647 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 173.71 -172.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.473 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.0 113.38 16.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.214 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.438 ' OE1' ' OE2' ' D' ' 22' ' ' GLU . 1.1 mp0 -87.33 110.54 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -129.71 111.51 12.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.363 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.64 176.93 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.5 -87.16 1.24 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.7 m -157.57 121.08 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' C' ' 28' ' ' LYS . 10.3 t-20 -80.67 174.32 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.491 ' N ' ' OD1' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -129.05 164.35 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 91.67 0.61 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -150.76 -151.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.658 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -145.56 145.04 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -147.49 145.85 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.574 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -149.9 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.843 HD23 ' N ' ' C' ' 34' ' ' LEU . 0.6 OUTLIER -155.23 153.26 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' C' ' 35' ' ' MET . 4.2 ppp? -151.78 150.74 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.406 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.603 ' H ' HG12 ' B' ' 36' ' ' VAL . 32.8 m -152.12 151.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.625 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 150.11 21.9 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 148.09 19.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.44 HG12 ' N ' ' C' ' 40' ' ' VAL . 21.8 t -123.37 157.89 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.44 ' N ' HG12 ' C' ' 39' ' ' VAL . 7.7 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.804 0.335 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.512 HG23 HG23 ' E' ' 18' ' ' VAL . 14.9 m -152.35 150.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 26.5 t80 -153.31 150.9 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.199 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.59 ' N ' ' CD2' ' D' ' 19' ' ' PHE . 13.8 p90 175.37 -174.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.184 0.516 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.17 121.78 24.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.372 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' D' ' 20' ' ' PHE . 33.8 mm-40 -98.39 119.94 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.735 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.488 ' CG ' ' ND2' ' D' ' 27' ' ' ASN . 34.8 t0 -137.94 117.46 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.396 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.514 HG12 ' H ' ' D' ' 25' ' ' GLY . 1.5 t -138.1 172.09 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.654 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.514 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 94.87 -97.16 2.11 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.525 ' H ' ' HA3' ' E' ' 25' ' ' GLY . 62.5 p -145.0 103.74 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.317 . . . . 0.0 110.575 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' CG ' ' D' ' 23' ' ' ASP . 1.7 m120 -81.49 171.07 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -104.16 160.88 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.64 100.76 2.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.945 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.23 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.82 144.06 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.137 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.59 147.79 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.483 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -150.91 149.46 21.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.483 HD12 ' C ' ' D' ' 33' ' ' GLY . 3.9 mp -149.27 147.4 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.551 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' E' ' 35' ' ' MET . 8.4 ptm -149.73 147.42 28.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.651 HG12 HG22 ' E' ' 36' ' ' VAL . 33.8 m -154.32 153.33 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.694 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.72 152.71 24.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.88 148.04 18.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -126.53 136.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.557 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.63 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.512 HG23 HG23 ' D' ' 18' ' ' VAL . 2.6 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.777 0.322 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 2.6 m-85 -157.25 155.47 30.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.79 -170.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.95 107.32 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.5 mp0 -104.75 102.05 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -120.33 145.1 47.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' E' ' 26' ' ' SER . 2.7 p -65.32 161.61 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.54 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -42.3 -18.02 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' E' ' 24' ' ' VAL . 1.4 p -79.01 104.97 10.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.01 -176.1 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.605 ' HD2' ' H ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -101.98 139.61 37.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.78 101.59 2.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.837 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -173.49 -111.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.587 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 21.0 tt -145.75 145.02 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.137 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.4 HG21 HD13 ' E' ' 32' ' ' ILE . 1.8 mt -148.55 147.15 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.445 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.75 148.11 19.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -149.08 147.19 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -151.83 148.98 28.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.651 HG22 HG12 ' D' ' 36' ' ' VAL . 24.7 m -155.73 155.22 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.1 153.39 24.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.98 151.52 23.31 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.21 133.55 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.649 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 11.7 t80 -63.0 -70.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.67 0.272 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.671 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 17.2 pt-20 -151.68 149.21 28.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' G' ' 11' ' ' GLU . 0.4 OUTLIER -103.18 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . 0.402 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -132.74 158.78 41.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.646 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.582 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 13.4 t-80 -154.92 -132.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.582 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.7 pt20 -172.25 164.66 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 mttt 57.0 -115.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.721 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.0 pp -149.89 146.52 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 1.034 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.1 p 165.39 -163.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.028 0.442 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 1.034 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.0 OUTLIER -147.94 148.87 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.05 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.744 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 18.0 m-85 -149.32 147.67 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.27 122.51 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.464 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' G' ' 23' ' ' ASP . 31.2 mp0 -88.94 112.8 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.584 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 12.3 t70 -152.66 99.08 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.752 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.667 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 0.6 OUTLIER -49.32 135.58 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.515 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.69 -161.79 23.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 2.5 t -95.02 176.43 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.498 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' F' ' 26' ' ' SER . 57.0 t-20 -71.17 112.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -88.32 -165.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' G' ' 28' ' ' LYS . . . -62.54 95.96 0.14 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.22 179.54 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mt -147.63 147.72 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 1.2 pt -141.07 140.39 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.981 ' H ' ' HA2' ' G' ' 33' ' ' GLY . . . -64.54 -72.73 0.66 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.895 ' HB2' ' O ' ' F' ' 33' ' ' GLY . 2.7 tp 153.79 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.37 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.606 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -164.12 162.22 22.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.684 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.55 148.17 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.192 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.83 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -63.58 -70.77 0.97 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . 1.073 ' HA3' ' H ' ' G' ' 38' ' ' GLY . . . 157.85 -156.12 27.05 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.42 HG13 ' H ' ' F' ' 39' ' ' VAL . 0.8 OUTLIER -77.59 149.18 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.556 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.422 ' OXT' ' O ' ' G' ' 40' ' ' VAL . 6.4 t . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.3 -171.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . 0.511 ' CG ' ' H2 ' ' H' ' 1' ' ' ASP . 41.5 mt-10 -81.67 -11.32 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' G' ' 5' ' ' ARG . 47.8 t80 51.77 175.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' G' ' 4' ' ' PHE . 64.0 mtp180 -74.39 18.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' G' ' 4' ' ' PHE . 5.6 t60 -76.86 124.91 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -84.22 76.06 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' H' ' 8' ' ' SER . 3.3 m -55.31 -177.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' F' ' 9' ' ' GLY . . . -151.28 150.65 22.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -148.09 144.02 27.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 33.4 mt-10 -142.51 143.2 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.738 ' N ' ' HB2' ' H' ' 11' ' ' GLU . 4.7 t -109.88 135.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' H' ' 14' ' ' HIS . 0.6 OUTLIER -175.46 95.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.569 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.517 ' H ' ' HG3' ' H' ' 15' ' ' GLN . 4.8 m-70 -111.07 -139.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.671 ' O ' ' C ' ' G' ' 16' ' ' LYS . 31.0 mt-30 -132.26 -143.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.671 ' C ' ' O ' ' G' ' 15' ' ' GLN . 7.1 mttp -6.87 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.782 HD23 ' C ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -145.8 142.86 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.133 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' G' ' 14' ' ' HIS . 68.1 t -147.15 146.38 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.493 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -155.99 153.61 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 1.011 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 4.1 p90 171.8 -170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.469 . . . . 0.0 111.333 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 147.22 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.552 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.649 ' O ' ' O ' ' H' ' 23' ' ' ASP . 18.7 mp0 -112.39 124.1 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 21.0 t0 -157.07 99.02 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.348 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 15.5 m -90.51 -168.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.658 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.667 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 72.02 -106.9 2.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.3 t -151.0 135.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.58 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 26.4 t-20 -83.44 149.5 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -105.41 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 100.26 0.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 -162.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 110.76 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.458 ' C ' ' CG1' ' G' ' 32' ' ' ILE . 23.6 mt -143.7 143.25 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.95 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' F' ' 32' ' ' ILE . 1.7 mt -153.24 152.9 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.982 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.981 ' HA2' ' H ' ' F' ' 33' ' ' GLY . . . -144.22 143.02 11.6 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.773 ' O ' ' O ' ' F' ' 34' ' ' LEU . 4.7 mp -148.12 145.92 28.58 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' F' ' 35' ' ' MET . 10.5 ptp -150.44 146.87 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.218 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' F' ' 36' ' ' VAL . 11.1 m -145.68 146.89 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.508 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.83 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -152.26 149.02 20.63 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . 1.073 ' H ' ' HA3' ' F' ' 38' ' ' GLY . . . -153.61 153.45 24.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 85.6 t -86.28 123.82 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.422 ' O ' ' OXT' ' F' ' 40' ' ' VAL . 6.3 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . 0.511 ' H2 ' ' CG ' ' G' ' 3' ' ' GLU . 10.2 t70 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.4 136.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -172.89 133.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.523 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -177.93 37.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -102.46 -137.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 4.9 m80 -108.58 -173.68 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.68 -153.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' G' ' 8' ' ' SER . 8.6 t 61.7 141.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' I' ' 9' ' ' GLY . . . -145.08 143.54 12.01 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.937 ' H ' ' HA ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -58.26 -72.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.708 -0.289 . . . . 0.0 110.761 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.1 pt-20 157.69 -155.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.953 ' HB ' ' H ' ' I' ' 13' ' ' HIS . 2.0 t 61.21 93.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' H' ' 14' ' ' HIS . 3.1 m-70 -120.25 -54.1 2.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' H' ' 13' ' ' HIS . 64.8 m-70 -161.22 136.04 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.524 ' C ' ' NE2' ' H' ' 15' ' ' GLN . 0.0 OUTLIER 172.16 156.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.544 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' I' ' 16' ' ' LYS . 51.3 mmtt -38.42 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.669 HD12 ' C ' ' H' ' 17' ' ' LEU . 1.0 OUTLIER -143.99 142.6 30.79 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.498 ' N ' HD12 ' H' ' 17' ' ' LEU . 2.5 p -150.59 149.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.694 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.597 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.0 OUTLIER -156.5 153.62 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.578 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 1.011 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 161.67 -160.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.436 ' H ' ' HB2' ' H' ' 20' ' ' PHE . . . -109.37 107.22 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.232 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.612 ' C ' ' OH ' ' H' ' 10' ' ' TYR . 2.0 mt-10 -81.01 105.71 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.649 ' O ' ' O ' ' G' ' 22' ' ' GLU . 9.4 t70 -138.42 106.62 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.803 HG22 ' H ' ' H' ' 25' ' ' GLY . 9.8 p -115.03 177.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.803 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 83.52 -72.22 2.87 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -153.11 167.14 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.691 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' G' ' 23' ' ' ASP . 0.9 OUTLIER -127.78 -177.27 4.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.465 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.1 OUTLIER -118.0 165.97 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.48 94.24 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.75 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -153.39 -121.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.631 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -145.54 144.29 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.18 148.93 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.409 . . . . 0.0 110.648 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.48 146.8 16.48 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.708 HD12 ' N ' ' H' ' 34' ' ' LEU . 1.5 mp -151.46 151.21 31.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.984 0.421 . . . . 0.0 110.713 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.554 ' SD ' ' N ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.29 147.74 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.356 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.589 HG22 HG12 ' G' ' 36' ' ' VAL . 34.9 m -151.3 150.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . -154.0 152.11 23.74 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.01 150.4 22.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -111.77 126.02 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.603 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.92 -101.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 47.13 -162.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 t80 56.38 78.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -164.94 -72.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . 0.694 ' CG ' ' H ' ' I' ' 7' ' ' ASP . 46.9 t60 -155.85 -166.95 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . 0.694 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 14.0 m-20 -58.11 109.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.507 ' HB3' ' N ' ' J' ' 9' ' ' GLY . 0.2 OUTLIER -60.75 -4.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . 64.45 69.0 1.45 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' J' ' 10' ' ' TYR . 15.4 m-85 -141.52 141.66 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . 0.802 ' O ' ' O ' ' H' ' 11' ' ' GLU . 23.9 tt0 -148.13 144.01 27.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.087 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.84 HG22 ' H ' ' J' ' 12' ' ' VAL . 1.4 m -138.6 123.1 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.529 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . 0.953 ' H ' ' HB ' ' H' ' 12' ' ' VAL . 0.0 OUTLIER 172.95 120.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.428 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.935 ' CG ' ' H ' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -106.95 -130.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.935 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 72.7 tp60 -122.97 -96.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' H' ' 16' ' ' LYS . 20.6 tttp -32.47 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.868 ' N ' ' NE2' ' I' ' 14' ' ' HIS . 2.3 pp -144.87 143.36 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.181 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.996 ' O ' HG21 ' J' ' 18' ' ' VAL . 2.3 p -147.6 145.2 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 9.7 t80 -150.06 147.49 27.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.653 ' N ' ' CD2' ' I' ' 19' ' ' PHE . 0.1 OUTLIER 173.5 -171.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 111.397 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 115.08 18.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.263 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' I' ' 22' ' ' GLU . 3.2 mp0 -87.99 108.27 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.11 111.75 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' I' ' 25' ' ' GLY . 1.4 p -145.06 162.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' I' ' 24' ' ' VAL . . . 117.04 -82.37 0.32 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -145.31 98.51 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.03 -174.5 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -138.95 167.92 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.58 99.59 2.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.75 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -152.42 -131.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -145.65 145.27 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.22 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.31 145.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.728 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.88 149.12 20.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.728 HD12 ' C ' ' I' ' 33' ' ' GLY . 2.6 mp -149.49 148.5 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -146.32 144.84 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.45 HG23 HG23 ' J' ' 36' ' ' VAL . 0.3 OUTLIER -152.92 151.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.374 . . . . 0.0 110.632 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 152.59 24.16 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.91 16.97 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.28 138.65 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.563 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' J' ' 3' ' ' GLU . . . -83.99 -98.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' J' ' 2' ' ' ALA . 47.9 tt0 59.95 121.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -165.64 -72.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -171.02 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -54.56 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' J' ' 8' ' ' SER . 1.0 OUTLIER 62.36 123.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.601 ' O ' ' O ' ' J' ' 7' ' ' ASP . 2.6 p 53.78 137.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . 0.507 ' N ' ' HB3' ' I' ' 8' ' ' SER . . . -60.51 -68.73 1.54 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' I' ' 10' ' ' TYR . 2.6 m-85 -156.29 155.79 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.696 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -153.48 150.57 28.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.84 ' H ' HG22 ' I' ' 12' ' ' VAL . 34.9 t 64.27 104.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.682 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.594 ' H ' ' CB ' ' I' ' 13' ' ' HIS . 7.8 t-80 -81.82 -120.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.535 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 61.6 m80 -162.48 70.16 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.495 ' H ' ' HD2' ' J' ' 16' ' ' LYS . 36.2 tp60 -176.24 57.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER -175.97 -167.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.855 ' O ' ' HB ' ' J' ' 18' ' ' VAL . 17.9 tp -145.89 144.41 30.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 1.01 HG22 ' H ' ' J' ' 19' ' ' PHE . 11.6 p 148.94 -146.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 1.01 ' H ' HG22 ' J' ' 18' ' ' VAL . 5.0 m-85 -156.29 153.68 29.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' J' ' 20' ' ' PHE . 0.0 OUTLIER -157.87 158.32 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.654 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.18 144.94 43.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -103.43 164.33 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -103.65 -111.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.678 HG22 ' N ' ' J' ' 25' ' ' GLY . 14.3 p -175.72 170.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . 0.678 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -58.5 -52.67 51.51 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -120.31 103.85 9.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.598 ' N ' ' ND2' ' J' ' 27' ' ' ASN . 0.1 OUTLIER -79.37 170.88 15.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.626 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.05 147.15 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.72 2.78 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.589 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -161.83 -115.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.71 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -147.47 146.94 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.279 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.71 146.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.69 150.05 21.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.55 150.06 30.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.72 145.26 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.221 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.621 HG21 ' CD2' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -151.82 151.46 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.776 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.02 149.68 21.43 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.16 148.61 20.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.55 156.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.66 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.54 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.76 158.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ARG . 10.0 pt-20 -77.26 -177.57 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.542 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -47.86 95.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.69 HH22 ' H2 ' ' B' ' 1' ' ' ASP . 9.9 ptm180 -95.22 127.74 41.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -150.4 -19.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.473 ' OD1' ' OE1' ' B' ' 11' ' ' GLU . 2.8 m-20 -77.21 -111.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.195 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER -38.78 138.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.505 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.678 ' HA2' ' HA3' ' B' ' 9' ' ' GLY . . . 62.95 68.35 1.7 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.772 ' H ' ' H ' ' B' ' 10' ' ' TYR . 0.4 OUTLIER 152.15 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.938 0.399 . . . . 0.0 110.615 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' B' ' 11' ' ' GLU . 4.7 tt0 -147.43 144.93 29.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.101 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' HB ' ' H ' ' B' ' 12' ' ' VAL . 54.3 t -109.89 122.7 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -166.28 -174.52 2.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.724 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 2.0 t60 -168.42 -125.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.703 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.5 mt-30 -141.81 145.19 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.708 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' C ' ' NE2' ' B' ' 14' ' ' HIS . 68.2 mmtt 54.83 -76.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.48 146.92 28.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.194 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 19' ' ' PHE . 3.1 p -159.07 158.28 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.996 0.426 . . . . 0.0 110.99 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' CE1' HG13 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -152.95 152.45 31.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.429 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -151.71 148.35 27.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.474 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.917 ' HB2' HD23 ' B' ' 34' ' ' LEU . . . -156.43 108.43 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' H ' ' HB3' ' B' ' 22' ' ' GLU . 15.8 pt-20 174.84 167.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -80.24 125.62 30.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 117.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.69 -78.24 0.3 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.0 p -143.46 118.93 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.41 101.81 4.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' ALA . 0.9 OUTLIER -102.82 -161.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.447 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 76.71 0.02 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -153.97 175.32 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.386 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -145.78 143.71 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.244 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' B' ' 32' ' ' ILE . 0.0 OUTLIER -147.83 146.69 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.47 151.21 23.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.75 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.4 pt? -154.09 151.29 29.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ttt -150.85 149.59 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.704 HG13 ' CE1' ' A' ' 19' ' ' PHE . 35.7 m -150.38 149.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.739 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.28 148.86 20.41 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.2 22.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' B' ' 39' ' ' VAL . 12.4 m -132.95 165.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.615 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.502 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.69 ' H2 ' HH22 ' A' ' 5' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' B' ' 3' ' ' GLU . . . -169.67 88.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' B' ' 2' ' ' ALA . 64.0 mt-10 57.22 125.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.606 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -163.89 73.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -170.91 144.71 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -58.6 165.33 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' B' ' 9' ' ' GLY . 22.0 t70 48.01 29.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.8 t 48.42 -85.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.678 ' HA3' ' HA2' ' A' ' 9' ' ' GLY . . . 155.43 -152.32 23.82 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.909 ' HA ' ' HA ' ' C' ' 10' ' ' TYR . 0.1 OUTLIER -165.0 165.13 20.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.754 ' C ' HG23 ' B' ' 12' ' ' VAL . 2.1 pt-20 -153.23 152.25 30.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.718 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.977 ' O ' ' HA ' ' C' ' 12' ' ' VAL . 3.3 t 89.76 120.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.519 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.746 ' ND1' ' N ' ' B' ' 14' ' ' HIS . 0.0 OUTLIER 165.2 145.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.366 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.907 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 0.7 OUTLIER -173.62 -149.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.723 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.907 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 14.7 mm100 -130.43 -101.84 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' B' ' 15' ' ' GLN . 17.6 tttt -33.97 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.428 ' H ' ' HB3' ' B' ' 16' ' ' LYS . 6.0 tt -146.07 143.35 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.031 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' B' ' 20' ' ' PHE . 6.6 p -150.44 149.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.997 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.8 t80 -145.08 143.16 30.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.114 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' B' ' 19' ' ' PHE . 27.7 m-85 -146.61 144.83 29.81 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.94 106.69 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.185 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.613 ' H ' ' HB3' ' C' ' 22' ' ' GLU . 2.1 pt-20 174.88 142.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' OD2' ' O ' ' B' ' 26' ' ' SER . 0.0 OUTLIER -68.36 140.93 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.714 HG13 ' N ' ' B' ' 25' ' ' GLY . 0.4 OUTLIER -82.94 179.76 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.676 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.714 ' N ' HG13 ' B' ' 24' ' ' VAL . . . 62.87 -95.59 0.13 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.523 ' O ' ' OD2' ' B' ' 23' ' ' ASP . 8.7 t -132.33 179.21 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.672 0.272 . . . . 0.0 110.486 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.544 ' OD1' ' N ' ' B' ' 28' ' ' LYS . 14.1 t-20 -138.55 163.94 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.544 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 1.6 mmmm -128.43 -159.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.72 92.88 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.746 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -157.16 -172.32 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.491 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.795 ' C ' HD12 ' B' ' 32' ' ' ILE . 39.3 mt -144.74 143.58 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.254 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.795 HD12 ' C ' ' B' ' 31' ' ' ILE . 4.7 mp -146.71 144.7 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.2 149.85 21.71 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 1.053 HD12 ' N ' ' B' ' 35' ' ' MET . 0.2 OUTLIER -153.34 150.47 28.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.987 0.422 . . . . 0.0 110.651 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 1.053 ' N ' HD12 ' B' ' 34' ' ' LEU . 8.6 ttt -147.48 146.29 29.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.099 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.693 ' H ' HG12 ' A' ' 36' ' ' VAL . 28.2 m -153.77 152.24 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.82 152.06 23.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.61 147.0 17.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 39' ' ' VAL . 2.4 p -124.34 126.86 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.561 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.546 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' C' ' 2' ' ' ALA . 13.4 t0 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' C' ' 1' ' ' ASP . . . -51.71 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.629 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -70.9 68.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -77.63 79.74 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 46.96 86.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' C' ' 6' ' ' HIS . 48.0 t-80 -163.89 38.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' C' ' 8' ' ' SER . 27.1 t0 64.57 162.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 63.5 p -175.84 113.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' B' ' 9' ' ' GLY . . . -148.12 146.9 17.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.909 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 1.0 OUTLIER -143.48 142.84 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.399 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 1.16 ' CA ' ' HB3' ' D' ' 11' ' ' GLU . 1.6 pt-20 -141.67 140.98 33.35 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.916 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 1.055 ' H ' ' HB2' ' D' ' 11' ' ' GLU . 0.8 OUTLIER -118.31 130.28 73.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.936 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.733 ' H ' ' HB2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -128.84 114.62 16.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.479 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' N ' ' C' ' 15' ' ' GLN . 0.5 OUTLIER -118.27 -150.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.66 ' N ' ' CG ' ' C' ' 14' ' ' HIS . 53.4 tt0 -147.81 -77.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.624 ' O ' ' HG2' ' D' ' 16' ' ' LYS . 23.9 tttp -72.03 -70.27 0.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.11 145.85 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.365 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.42 ' CG1' ' CG ' ' C' ' 14' ' ' HIS . 2.5 p -146.89 145.78 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.581 ' CD2' ' N ' ' C' ' 20' ' ' PHE . 3.4 t80 -150.75 147.3 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.119 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.697 ' CE2' ' CD2' ' D' ' 20' ' ' PHE . 36.9 p90 -174.02 174.62 2.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 111.429 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.556 ' HB1' HG23 ' D' ' 32' ' ' ILE . . . -170.15 138.63 1.68 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.425 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.613 ' HB3' ' H ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER 174.25 160.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.941 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' D' ' 26' ' ' SER . 34.3 t70 -91.66 135.37 33.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.124 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.697 HG21 ' O1P' ' D' ' 101' ' ' 2PO . 0.6 OUTLIER -91.99 78.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.779 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' B' ' 24' ' ' VAL . . . 173.29 -102.61 0.18 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.422 ' OG ' ' CG ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -134.98 128.6 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.491 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' B' ' 27' ' ' ASN . 0.2 OUTLIER -78.45 101.64 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.47 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' C' ' 30' ' ' ALA . 28.6 mtpt -78.56 -176.64 4.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.27 88.52 0.01 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' D' ' 28' ' ' LYS . . . -161.65 -175.72 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.506 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.562 ' H ' ' HA ' ' D' ' 30' ' ' ALA . 7.4 tt -143.31 144.3 23.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' D' ' 32' ' ' ILE . 0.1 OUTLIER -147.77 142.74 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.639 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -154.27 153.41 24.8 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 4.6 mp -154.2 151.94 29.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' B' ' 35' ' ' MET . 7.8 ttt -145.1 145.31 31.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.787 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 1.034 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.3 OUTLIER -148.87 146.51 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.599 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.27 148.94 20.7 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 0.71 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -148.54 147.23 17.58 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.0 147.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.518 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.613 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.03 80.29 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -142.75 -42.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -56.52 107.78 0.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 55.28 51.29 13.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.475 ' CG ' ' H ' ' D' ' 7' ' ' ASP . 0.9 OUTLIER -90.5 -152.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.607 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.475 ' H ' ' CG ' ' D' ' 6' ' ' HIS . 0.8 OUTLIER -106.7 154.71 20.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.3 OUTLIER -124.74 -84.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.571 ' HA3' ' H ' ' C' ' 10' ' ' TYR . . . 158.61 -158.32 29.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.838 ' CB ' ' O ' ' E' ' 9' ' ' GLY . 0.9 OUTLIER -157.3 155.67 31.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.774 0.321 . . . . 0.0 110.385 179.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 1.16 ' HB3' ' CA ' ' C' ' 11' ' ' GLU . 0.0 OUTLIER 160.73 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.767 ' O ' ' CG ' ' D' ' 13' ' ' HIS . 73.6 t 76.53 129.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.291 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 1.011 ' HB2' ' H ' ' E' ' 13' ' ' HIS . 9.0 m80 137.83 172.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.891 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.689 ' CD2' ' N ' ' D' ' 15' ' ' GLN . 65.6 t60 159.3 -100.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.434 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.689 ' N ' ' CD2' ' D' ' 14' ' ' HIS . 40.8 tt0 -176.42 34.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.809 ' H ' HE21 ' E' ' 15' ' ' GLN . 18.2 tptp -147.54 -104.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.7 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.4 145.58 28.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.745 0.307 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.551 HG21 HG13 ' D' ' 12' ' ' VAL . 3.7 m -146.31 146.04 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.62 ' C ' ' CG ' ' D' ' 20' ' ' PHE . 2.6 t80 -152.89 148.6 27.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.697 ' CD2' ' CE2' ' C' ' 20' ' ' PHE . 0.2 OUTLIER 165.96 -164.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.122 0.487 . . . . 0.0 111.126 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.07 122.51 9.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.263 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -122.15 128.98 51.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.548 ' O ' HG22 ' C' ' 24' ' ' VAL . 0.0 OUTLIER -128.9 142.54 50.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.173 179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.702 ' O ' ' N ' ' D' ' 26' ' ' SER . 6.3 p -50.15 164.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.728 0.299 . . . . 0.0 110.685 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.637 ' N ' HG22 ' D' ' 24' ' ' VAL . . . -52.83 71.45 0.0 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.702 ' N ' ' O ' ' D' ' 24' ' ' VAL . 14.4 p -145.64 85.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.433 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.503 ' ND2' HD11 ' D' ' 31' ' ' ILE . 0.4 OUTLIER -97.42 104.68 16.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -98.17 -166.03 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.648 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -43.47 -174.23 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -31.56 113.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.224 . . . . 0.0 110.574 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.927 HG23 ' O ' ' E' ' 30' ' ' ALA . 1.5 pp -154.43 154.3 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.096 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.731 ' O ' ' HB ' ' C' ' 32' ' ' ILE . 84.0 mt 66.14 72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.831 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.719 ' O ' ' HB3' ' D' ' 34' ' ' LEU . . . -145.91 141.47 9.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 1.232 ' HB2' ' O ' ' E' ' 34' ' ' LEU . 1.0 OUTLIER 161.32 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.139 0.495 . . . . 0.0 111.228 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' I' ' 36' ' ' VAL . 2.0 ptm -158.58 157.78 32.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.483 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 1.034 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 0.0 OUTLIER -152.87 153.19 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.556 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -154.54 152.56 24.11 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.71 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -152.88 150.9 22.76 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -122.01 153.41 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.569 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.64 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.61 71.42 2.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -173.16 -8.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' E' ' 5' ' ' ARG . 36.0 t80 -115.8 -86.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . 0.436 ' N ' ' CD2' ' E' ' 4' ' ' PHE . 24.2 ttt180 46.25 -137.29 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . 0.687 ' CG ' ' H ' ' E' ' 7' ' ' ASP . 9.8 t-80 -87.83 -165.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.509 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . 0.687 ' H ' ' CG ' ' E' ' 6' ' ' HIS . 5.1 m-20 -76.85 99.58 5.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.533 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 67.2 m -53.15 -57.54 10.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.592 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 0.838 ' O ' ' CB ' ' D' ' 10' ' ' TYR . . . -164.04 163.62 36.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.747 ' O ' ' CD ' ' C' ' 11' ' ' GLU . 4.5 p90 -157.85 154.5 28.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.361 . . . . 0.0 110.763 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 1.007 ' HB2' ' HB2' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -155.82 154.34 31.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.875 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.644 ' O ' ' CB ' ' E' ' 13' ' ' HIS . 0.0 OUTLIER 32.41 -91.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.112 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 1.011 ' H ' ' HB2' ' D' ' 13' ' ' HIS . 4.7 t-80 93.91 113.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.367 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.821 ' H ' ' CG ' ' D' ' 13' ' ' HIS . 1.9 t-80 82.15 131.05 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.531 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.809 HE21 ' H ' ' D' ' 16' ' ' LYS . 34.1 tt0 -155.33 178.7 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.613 ' H ' ' CG ' ' E' ' 15' ' ' GLN . 33.8 ttpt -75.54 -52.23 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -146.83 144.37 29.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.178 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.548 HG12 HG22 ' D' ' 18' ' ' VAL . 10.7 m -151.01 149.97 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.813 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 47.5 m-85 -152.78 149.44 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' E' ' 19' ' ' PHE . 1.1 p90 161.71 -160.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.415 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.29 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.133 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -80.11 118.69 22.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 1.2 m-20 -135.11 114.26 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' E' ' 26' ' ' SER . 30.3 m -128.37 173.53 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.653 ' C ' HG11 ' D' ' 24' ' ' VAL . . . 65.02 -74.4 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.517 ' CA ' HG11 ' D' ' 24' ' ' VAL . 25.1 p -135.83 167.06 21.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.515 ' CG ' ' H ' ' E' ' 28' ' ' LYS . 5.8 t-20 -150.7 -174.29 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CG ' ' E' ' 27' ' ' ASN . 35.3 mttt -90.57 173.05 8.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.599 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.683 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -127.47 118.07 2.84 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 1.065 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 160.87 -105.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.936 ' HA ' ' O ' ' D' ' 30' ' ' ALA . 14.1 tt -143.5 141.61 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.854 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -146.0 145.08 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.492 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' E' ' 34' ' ' LEU . . . 162.75 -160.82 33.23 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 1.232 ' O ' ' HB2' ' D' ' 34' ' ' LEU . 1.1 pp 159.15 -159.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.668 ' N ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -147.03 145.16 29.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.302 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.665 ' O ' HG12 ' D' ' 36' ' ' VAL . 0.2 OUTLIER -153.74 153.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.818 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -152.73 150.77 22.61 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.52 147.77 18.44 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 40' ' ' VAL . 3.0 m -107.01 158.54 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.703 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' E' ' 39' ' ' VAL . 84.5 t . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.541 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.77 -74.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.47 -55.55 23.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -154.9 -62.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.487 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -142.2 -170.97 3.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.537 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -66.98 -112.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.48 144.16 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.176 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 45.5 t -150.48 -178.07 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . 0.511 ' HA2' ' HA2' ' G' ' 9' ' ' GLY . . . -146.52 144.68 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' G' ' 10' ' ' TYR . 12.0 t80 -147.77 147.39 29.83 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 14.3 pt-20 -152.13 148.34 27.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.145 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.857 ' HB ' ' H ' ' G' ' 12' ' ' VAL . 69.7 t -111.4 136.34 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.34 155.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.651 ' H ' ' HB2' ' G' ' 15' ' ' GLN . 27.8 t60 -173.52 -137.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.571 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 8.0 pt20 -136.73 179.46 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.642 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 61.5 mttm 40.24 -101.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 144.22 29.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.22 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.451 ' O ' HG13 ' G' ' 18' ' ' VAL . 67.6 t -147.88 146.78 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.518 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' CG1' ' F' ' 36' ' ' VAL . 0.1 OUTLIER -153.89 150.88 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 1.007 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 37.7 m-85 -159.35 158.65 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 1.07 ' HB2' HD21 ' G' ' 34' ' ' LEU . . . -137.55 99.76 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.304 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 179.62 179.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' G' ' 23' ' ' ASP . 20.8 p-10 -110.33 151.88 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.583 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.45 HG22 ' H ' ' F' ' 24' ' ' VAL . 1.9 m -74.96 173.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 -78.49 1.59 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -153.27 164.02 38.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.615 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 9.1 t-20 -106.66 167.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.667 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 26.8 mmtp -128.48 -165.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.41 100.47 1.41 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.5 -163.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.673 0.273 . . . . 0.0 110.375 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -144.01 142.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 pt -152.61 150.32 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -149.14 148.51 19.95 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.838 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.2 146.58 28.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 ttt -148.13 145.65 28.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.302 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.577 ' CG1' ' CZ ' ' F' ' 19' ' ' PHE . 2.8 m -147.58 146.79 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.547 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.415 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -150.71 147.75 18.15 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.65 156.96 27.76 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -114.41 133.33 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.699 0.285 . . . . 0.0 110.59 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.619 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.61 -79.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.17 -169.62 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -136.83 -179.36 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -74.02 -178.75 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 28.4 m170 53.99 171.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.57 133.66 10.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.4 OUTLIER -85.64 -25.21 26.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.58 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . 159.35 -156.35 27.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.778 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.6 OUTLIER -166.45 166.77 16.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' H' ' 11' ' ' GLU . 1.9 pt-20 -150.92 149.62 29.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.884 ' HB ' ' HA ' ' H' ' 12' ' ' VAL . 1.4 t 72.91 113.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.58 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.602 ' CE1' ' ND1' ' G' ' 14' ' ' HIS . 36.3 t-80 -134.13 -54.9 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.542 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.602 ' ND1' ' CE1' ' G' ' 13' ' ' HIS . 31.4 m80 -162.85 135.36 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.64 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' F' ' 14' ' ' HIS . 5.4 tt0 169.66 162.17 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.552 ' N ' ' CG ' ' G' ' 15' ' ' GLN . 0.0 OUTLIER -47.67 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.91 144.1 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.056 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.535 ' O ' HG23 ' H' ' 18' ' ' VAL . 30.4 t -152.28 151.37 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -157.68 154.49 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.61 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 1.007 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.0 OUTLIER 165.65 -165.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.71 118.78 32.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.31 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.64 130.83 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CB ' ' F' ' 23' ' ' ASP . 18.8 t70 -154.47 114.13 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.05 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' H' ' 10' ' ' TYR . 14.7 m -89.36 -170.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.813 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.1 -109.77 2.88 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -143.13 137.95 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 41.7 t-20 -72.46 146.32 46.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.46 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 0.8 OUTLIER -105.37 167.04 10.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.79 89.96 0.09 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.22 -156.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 mt -146.15 145.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.175 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -147.31 145.68 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.445 ' C ' ' HG ' ' G' ' 34' ' ' LEU . . . -151.97 149.0 20.64 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 1.07 HD21 ' HB2' ' F' ' 21' ' ' ALA . 0.0 OUTLIER -156.02 155.77 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.664 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 6.9 ptp -153.44 151.49 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.653 HG13 ' CE2' ' G' ' 19' ' ' PHE . 0.1 OUTLIER -148.83 148.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -149.04 146.78 16.57 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.35 147.89 18.71 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 13.6 t -116.98 137.22 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 110.629 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.548 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.94 177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.536 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' H' ' 4' ' ' PHE . 34.3 mt-10 42.85 51.63 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.502 ' O ' ' N ' ' H' ' 6' ' ' HIS . 15.2 t80 -47.82 178.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . 0.465 ' O ' ' ND1' ' H' ' 6' ' ' HIS . 74.3 mtt180 -40.55 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' H' ' 4' ' ' PHE . 59.0 m-70 -148.87 -159.32 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' H' ' 8' ' ' SER . 0.8 OUTLIER -138.19 -62.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.178 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 15.6 m 58.69 145.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 0.931 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -151.54 148.29 19.15 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' H' ' 9' ' ' GLY . 22.0 m-85 -152.41 150.59 29.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 1.031 ' O ' ' O ' ' G' ' 11' ' ' GLU . 64.1 tt0 -146.15 146.65 30.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.479 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.884 ' HA ' ' HB ' ' G' ' 12' ' ' VAL . 2.2 m -131.32 141.99 44.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.765 0.317 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.551 ' O ' ' C ' ' G' ' 13' ' ' HIS . 1.4 t-80 -167.06 132.37 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.543 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.1 OUTLIER -136.0 -168.01 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.743 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.611 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 38.2 tt0 -110.54 -95.72 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 22.4 tptt -41.1 -87.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.745 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.418 ' H ' ' HB3' ' H' ' 16' ' ' LYS . 2.4 pp -146.82 145.56 29.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.474 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.535 HG23 ' O ' ' G' ' 18' ' ' VAL . 1.2 p -147.49 145.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -153.93 151.07 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.389 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.806 ' H ' ' HB3' ' I' ' 20' ' ' PHE . 0.4 OUTLIER 174.47 -173.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 111.396 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.34 99.57 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.147 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.414 ' OE1' ' OH ' ' I' ' 10' ' ' TYR . 63.5 mm-40 -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.705 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.499 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 18.3 t0 -141.12 121.92 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.284 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 m -92.3 179.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.547 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.479 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 90.43 -112.18 4.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -148.06 161.75 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' G' ' 28' ' ' LYS . 9.6 t30 -80.29 175.81 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -137.28 169.63 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.534 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 92.85 0.86 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -156.99 -150.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.563 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 mt -145.42 144.8 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.173 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.01 145.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.803 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -148.05 145.74 14.62 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.803 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.4 mp -147.98 146.93 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.7 mtt -147.29 145.03 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.312 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -150.65 150.46 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.663 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.78 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.06 147.09 17.2 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.17 123.75 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.339 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.601 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -141.36 107.98 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' I' ' 6' ' ' HIS . 87.3 m-85 -79.25 171.45 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.568 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -60.57 74.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' I' ' 4' ' ' PHE . 15.4 m-70 -106.3 -169.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' I' ' 8' ' ' SER . 59.3 m-20 -80.51 -100.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 5.9 m 60.39 129.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.588 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.12 146.49 15.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.798 ' C ' ' O ' ' J' ' 10' ' ' TYR . 2.4 t80 -144.95 144.69 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.43 ' N ' ' CD2' ' I' ' 10' ' ' TYR . 36.9 mt-10 -145.24 143.22 30.14 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.725 ' H ' ' N ' ' J' ' 12' ' ' VAL . 1.1 t -115.67 149.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.748 0.308 . . . . 0.0 110.434 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.747 ' CD2' ' H ' ' I' ' 14' ' ' HIS . 8.8 t-160 -153.68 172.56 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.546 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.841 ' CD2' ' H ' ' I' ' 15' ' ' GLN . 53.8 t60 -177.25 -174.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.5 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.841 ' H ' ' CD2' ' I' ' 14' ' ' HIS . 3.4 tp-100 -119.48 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.604 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' J' ' 16' ' ' LYS . 4.9 tmtt? -79.95 -77.0 0.2 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.656 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.931 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.0 pp -147.81 145.32 28.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.609 ' CG2' ' CE1' ' I' ' 20' ' ' PHE . 2.9 p -148.18 146.87 17.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.453 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.836 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -154.91 151.87 29.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.722 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.806 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.19 -168.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.94 146.08 46.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.439 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' J' ' 23' ' ' ASP . 3.5 mm-40 -125.23 110.75 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.638 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.518 ' OD1' ' ND2' ' J' ' 27' ' ' ASN . 25.5 t70 -135.87 117.2 14.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.198 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.404 ' H ' HG12 ' J' ' 24' ' ' VAL . 22.5 m -113.22 -175.95 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.406 ' O ' ' OE1' ' H' ' 3' ' ' GLU . . . 89.34 -104.83 3.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -147.72 114.62 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.309 . . . . 0.0 110.535 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.499 ' ND2' ' OD2' ' H' ' 23' ' ' ASP . 2.2 m-80 -75.12 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.535 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -106.05 170.12 8.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.28 102.96 1.99 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.755 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.4 -141.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.558 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -144.89 144.14 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.201 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -146.92 145.03 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.453 ' O ' ' HG ' ' I' ' 34' ' ' LEU . . . -152.29 149.54 21.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' I' ' 33' ' ' GLY . 1.4 mp -153.63 152.77 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -149.17 148.06 29.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.37 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' D' ' 35' ' ' MET . 0.2 OUTLIER -149.57 147.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.345 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.32 152.34 23.99 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.24 147.64 18.23 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.743 HG22 HD11 ' E' ' 31' ' ' ILE . 5.3 p -123.87 127.43 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.312 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.5 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.83 121.51 30.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.43 -49.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' J' ' 4' ' ' PHE . 78.5 t80 -75.58 -1.06 22.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.533 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -73.38 -53.51 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . 0.539 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.4 p-80 -150.46 -175.82 5.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -93.64 114.15 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.7 OUTLIER -73.78 -2.56 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.54 -165.63 38.78 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.798 ' O ' ' C ' ' I' ' 10' ' ' TYR . 0.7 OUTLIER -163.93 163.97 23.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.958 0.409 . . . . 0.0 110.965 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.655 ' O ' HG12 ' J' ' 12' ' ' VAL . 1.1 pm0 -154.41 151.87 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.331 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.725 ' N ' ' H ' ' I' ' 12' ' ' VAL . 0.4 OUTLIER 81.86 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 7.2 t-160 -149.0 42.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.543 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 1.9 t60 85.26 114.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.558 ' CD ' ' H ' ' J' ' 16' ' ' LYS . 0.2 OUTLIER -167.35 178.45 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.59 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.577 ' O ' ' O ' ' I' ' 16' ' ' LYS . 63.2 mmtt -128.72 140.18 51.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.931 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 4.1 mm? 61.26 70.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.14 145.51 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.836 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 13.5 t80 -153.24 151.67 30.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.38 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -171.25 170.85 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.026 0.441 . . . . 0.0 111.216 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.04 104.36 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -86.63 102.9 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.629 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' I' ' 22' ' ' GLU . 53.3 t0 -135.22 119.37 17.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.404 HG12 ' H ' ' I' ' 24' ' ' VAL . 12.1 m -135.51 -174.1 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -93.55 1.78 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -137.13 117.35 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OD1' ' I' ' 23' ' ' ASP . 1.8 m120 -78.62 170.32 16.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -107.58 137.66 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.49 92.53 1.51 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.31 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.606 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -148.47 147.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.341 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' J' ' 32' ' ' ILE . 1.7 mt -147.27 146.72 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.442 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.97 151.36 23.09 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -154.35 153.95 32.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.701 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.32 146.39 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.364 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.443 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.11 153.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.565 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.09 156.16 26.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.67 149.97 21.8 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.24 135.68 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.567 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.195 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.176 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.178 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.53 132.29 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 5' ' ' ARG . 8.0 mt-10 -45.78 129.46 9.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -77.23 26.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' H ' ' C ' ' A' ' 3' ' ' GLU . 72.2 mtp180 -80.13 159.07 26.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.621 ' CG ' ' H ' ' A' ' 7' ' ' ASP . 2.4 t60 -67.17 -121.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.621 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 38.3 t0 -66.05 95.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.63 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 6.8 t -48.85 110.79 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.88 153.05 24.56 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -149.43 148.08 29.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -152.48 150.57 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.1 154.9 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.611 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.574 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -177.05 126.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.7 t-80 -166.0 -150.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.659 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 mt-30 -134.24 -173.85 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 61.1 mttm 50.02 -103.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -146.81 145.07 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.258 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -148.96 147.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -152.88 151.28 30.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.868 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 30.9 m-85 -157.65 157.15 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.753 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.32 109.76 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.418 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -177.03 175.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.704 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 21.5 p-10 -108.23 142.87 37.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.42 107.7 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.534 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.74 -97.06 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -138.23 123.5 19.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' OD1' ' OD1' ' A' ' 23' ' ' ASP . 3.2 m-80 -88.51 131.67 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -93.97 -165.84 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 92.58 0.3 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.21 -169.87 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.492 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -146.91 145.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 pt -148.84 147.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.37 149.69 21.5 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.03 149.29 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.696 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 tpt -148.8 146.45 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 HG22 ' B' ' 36' ' ' VAL . 11.8 m -149.62 149.01 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.659 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.03 148.87 20.48 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.07 151.67 23.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 p -120.7 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.594 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' OXT' HG22 ' A' ' 40' ' ' VAL . 6.1 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.4 -143.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.57 124.33 23.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -165.16 95.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.466 ' O ' ' CD2' ' B' ' 6' ' ' HIS . 17.6 ttm180 -151.37 -42.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.587 ' N ' HH12 ' C' ' 5' ' ' ARG . 30.4 m80 -154.26 177.75 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.95 165.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.618 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 4.2 m -143.36 135.05 26.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.407 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -155.29 154.35 25.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 13.5 m-85 -149.22 147.63 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -149.26 147.52 28.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.612 HG22 HG12 ' C' ' 12' ' ' VAL . 31.3 m -113.75 140.71 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -148.83 166.37 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.482 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.612 ' CG ' ' H ' ' B' ' 15' ' ' GLN . 6.3 t-80 -174.05 -149.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.612 ' H ' ' CG ' ' B' ' 14' ' ' HIS . 61.8 mt-30 -148.35 -32.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 6.1 mptp? -111.0 -85.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.43 144.87 29.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.231 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.505 ' CG2' ' CG ' ' B' ' 14' ' ' HIS . 71.8 t -151.59 150.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.59 156.73 28.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.637 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.868 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.06 -168.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 111.315 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 117.11 19.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.181 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -91.55 129.71 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 18.8 t70 -144.89 111.2 5.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.185 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -178.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.625 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 -96.41 2.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.9 t -157.4 116.23 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -74.75 158.81 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.55 175.56 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.26 95.56 0.3 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -147.48 -160.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.567 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -145.39 144.91 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.204 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -146.75 145.05 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.77 151.49 23.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.83 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.7 pt? -159.3 158.53 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.996 0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 12.4 ttt -150.94 149.06 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.328 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.695 HG22 HG12 ' A' ' 36' ' ' VAL . 32.2 m -150.59 150.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.677 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.06 151.03 22.88 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.14 20.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 40' ' ' VAL . 92.6 t -103.98 117.89 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.576 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.476 HG12 ' OXT' ' B' ' 40' ' ' VAL . 89.3 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.99 107.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' C' ' 4' ' ' PHE . 63.2 tt0 -144.52 96.95 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' C' ' 3' ' ' GLU . 8.9 m-85 -141.74 131.52 24.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.587 HH12 ' N ' ' B' ' 6' ' ' HIS . 4.7 tpt180 -164.51 148.48 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -86.65 41.69 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' C' ' 8' ' ' SER . 12.6 t0 -171.8 -104.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 7.1 m 54.24 110.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.509 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.28 150.44 22.17 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' C' ' 10' ' ' TYR . 0.0 OUTLIER -149.72 149.15 30.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 0.0 110.521 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE1' ' OE2' ' D' ' 11' ' ' GLU . 27.4 tt0 -149.91 147.97 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.612 HG12 HG22 ' B' ' 12' ' ' VAL . 34.8 m -120.14 144.01 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.621 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.47 ' ND1' ' OE1' ' D' ' 15' ' ' GLN . 22.5 t60 -168.72 106.06 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' C' ' 18' ' ' VAL . 28.0 m-70 -115.62 -128.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 15' ' ' GLN . 25.5 tt0 -146.95 -110.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 8.3 tttm -34.09 -82.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.42 ' H ' ' HB3' ' C' ' 16' ' ' LYS . 1.9 pp -147.69 145.67 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' C' ' 20' ' ' PHE . 2.4 p -149.41 146.86 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -156.77 155.08 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.604 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 172.32 -171.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 111.172 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.28 124.01 41.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -93.24 118.32 31.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -140.46 106.65 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.458 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.5 OUTLIER -117.94 173.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.458 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.26 -82.78 1.16 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -155.63 136.34 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.497 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 61.8 t30 -77.94 -170.75 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.528 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.634 ' HD3' ' H ' ' C' ' 28' ' ' LYS . 0.0 OUTLIER -136.31 157.07 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.69 88.62 1.57 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.973 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -154.11 -138.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.731 0.3 . . . . 0.0 110.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 mt -145.33 144.31 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.226 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.41 145.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.429 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.732 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -149.62 147.28 17.43 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.732 HD12 ' C ' ' C' ' 33' ' ' GLY . 2.9 mp -148.96 147.59 28.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.424 ' C ' HG13 ' C' ' 36' ' ' VAL . 20.3 mtm -148.64 146.59 28.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.371 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.738 HG12 HG22 ' D' ' 36' ' ' VAL . 33.9 m -153.6 153.01 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.728 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.49 151.75 23.47 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.94 18.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -120.2 147.45 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' C' ' 40' ' ' VAL . 7.3 p . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.595 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . 0.439 ' O ' ' CD1' ' D' ' 4' ' ' PHE . . . -139.34 -131.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.582 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 46.09 80.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.558 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 2' ' ' ALA . 49.0 m-85 -135.62 -172.63 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? 55.2 -164.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -91.4 -143.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.14 179.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.564 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 1.1 m 73.07 104.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.687 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.76 146.51 15.82 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 1.061 ' O ' ' O ' ' E' ' 10' ' ' TYR . 1.7 t80 -144.46 145.46 31.9 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.667 ' HA ' ' HA ' ' E' ' 11' ' ' GLU . 11.8 pt-20 -149.43 144.81 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.967 ' O ' ' HB ' ' E' ' 12' ' ' VAL . 4.5 m -119.69 103.32 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.695 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.596 ' CG ' ' H ' ' D' ' 14' ' ' HIS . 0.8 OUTLIER -51.72 -160.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.714 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.596 ' H ' ' CG ' ' D' ' 13' ' ' HIS . 9.0 p-80 -114.53 150.4 34.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.675 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 176.3 104.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.394 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 4.9 mmtp 40.67 -91.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.391 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' D' ' 15' ' ' GLN . 0.2 OUTLIER -147.17 144.09 28.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.284 179.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.36 148.94 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.612 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 11.6 t80 -152.92 149.82 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.226 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.538 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 176.27 -175.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.092 0.473 . . . . 0.0 111.33 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.42 127.48 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.437 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -101.0 117.45 35.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.15 112.8 9.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.44 HG12 ' H ' ' D' ' 25' ' ' GLY . 0.2 OUTLIER -122.92 -175.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.44 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 90.37 -99.78 2.6 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 33.1 m -150.99 115.41 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.544 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.0 159.83 31.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.492 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.564 ' CD ' ' N ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -108.28 159.37 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.67 102.31 1.19 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.973 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -157.4 -140.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.537 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mt -144.83 143.88 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -147.24 145.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.5 147.71 18.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mp -148.67 147.05 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.455 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.442 ' O ' ' HA ' ' E' ' 35' ' ' MET . 11.2 ttt -149.64 146.87 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.738 HG22 HG12 ' C' ' 36' ' ' VAL . 33.4 m -154.04 153.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.69 153.16 24.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.9 148.14 19.11 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.93 130.66 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.402 HG21 ' HZ1' ' C' ' 16' ' ' LYS . 45.3 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.98 -7.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.54 101.87 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -103.45 -87.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -89.82 -156.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -72.31 -130.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . 0.434 ' O ' ' OG ' ' E' ' 8' ' ' SER . 5.4 m-20 44.83 88.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 70.9 m -168.65 -73.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' E' ' 10' ' ' TYR . . . -160.58 159.16 30.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 1.061 ' O ' ' O ' ' D' ' 10' ' ' TYR . 2.5 m-85 -158.3 158.46 34.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.986 0.422 . . . . 0.0 110.981 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.667 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.0 OUTLIER -148.26 143.32 26.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.975 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.967 ' HB ' ' O ' ' D' ' 12' ' ' VAL . 2.5 t -84.81 -126.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.434 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.547 ' O ' ' CB ' ' E' ' 14' ' ' HIS . 0.1 OUTLIER 158.25 -139.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.626 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.547 ' CB ' ' O ' ' E' ' 13' ' ' HIS . 5.4 t-80 84.76 -167.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.592 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.735 HE21 ' N ' ' E' ' 16' ' ' LYS . 0.0 OUTLIER 63.66 -170.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.735 ' N ' HE21 ' E' ' 15' ' ' GLN . 30.8 tptt -39.58 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.696 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' D' ' 17' ' ' LEU . 5.3 tp -149.72 147.04 27.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.474 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' E' ' 13' ' ' HIS . 34.3 m -148.78 147.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.58 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.612 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 29.3 t80 -151.99 149.26 28.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.282 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' OE1' ' E' ' 11' ' ' GLU . 0.6 OUTLIER -163.91 163.31 23.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.936 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.29 98.41 6.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.321 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -79.96 98.21 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -126.34 119.33 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.637 HG12 ' H ' ' E' ' 25' ' ' GLY . 2.6 t -150.67 172.42 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.637 ' H ' HG12 ' E' ' 24' ' ' VAL . . . 100.92 -83.91 0.53 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -141.11 115.6 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.408 ' H ' ' HE2' ' D' ' 28' ' ' LYS . 2.8 m-80 -96.14 -178.57 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -114.68 144.18 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.56 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.24 101.01 2.68 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.641 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -165.66 -114.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.479 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -146.11 145.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -147.46 146.1 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.401 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.81 148.68 20.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.26 148.93 29.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.486 ' O ' HG13 ' E' ' 36' ' ' VAL . 15.5 ptt? -152.88 149.95 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.532 HG22 HG12 ' D' ' 36' ' ' VAL . 21.2 m -157.18 156.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.0 154.55 25.59 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.05 150.61 22.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.44 128.75 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.544 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.604 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' F' ' 4' ' ' PHE . . . 60.65 33.84 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' F' ' 5' ' ' ARG . 25.2 tt0 63.44 1.43 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' F' ' 2' ' ' ALA . 28.0 t80 63.17 -70.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' F' ' 3' ' ' GLU . 73.4 mtt180 -57.34 172.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -167.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.76 147.99 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.605 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.6 t -143.95 -157.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.453 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.57 152.22 23.87 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -150.31 148.49 28.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -148.44 147.24 28.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.52 152.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.695 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.559 ' HB3' ' HD1' ' G' ' 13' ' ' HIS . 28.5 p-80 -176.88 147.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.604 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.63 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 0.8 OUTLIER -173.6 -146.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.63 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.3 mm100 -139.2 -178.87 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.662 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 56.4 mttp 42.9 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' F' ' 15' ' ' GLN . 2.2 pp -146.62 144.86 29.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.268 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.96 145.63 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.617 ' CE1' HD12 ' F' ' 34' ' ' LEU . 3.4 p90 -149.57 147.47 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.833 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 28.9 m-85 -153.37 152.47 31.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.594 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.48 100.87 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 178.93 174.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' G' ' 27' ' ' ASN . 22.6 p-10 -102.23 146.78 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' G' ' 24' ' ' VAL . 1.0 OUTLIER -69.03 159.89 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.86 -95.72 2.12 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -140.16 160.35 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.597 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' F' ' 28' ' ' LYS . 4.4 t-20 -85.05 165.81 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.499 ' H ' ' ND2' ' F' ' 27' ' ' ASN . 0.6 OUTLIER -129.97 -171.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.42 89.38 0.52 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.506 ' CB ' ' ND2' ' G' ' 27' ' ' ASN . . . -157.16 -165.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.757 0.313 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 mt -146.0 144.16 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.155 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 pt -150.92 149.72 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 110.728 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 148.96 20.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.797 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -150.37 148.61 29.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' F' ' 36' ' ' VAL . 22.7 ttm -149.62 146.25 27.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.288 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.511 HG11 ' CZ ' ' F' ' 19' ' ' PHE . 19.4 m -151.62 152.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.796 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.96 149.59 21.32 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 150.98 22.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -128.67 134.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.582 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.87 179.26 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.7 120.11 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -59.96 -173.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.622 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . 0.474 ' H ' ' HE ' ' G' ' 5' ' ' ARG . 0.7 OUTLIER -56.8 108.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . 0.504 ' H ' ' CD2' ' H' ' 6' ' ' HIS . 91.8 m-70 -140.74 -179.02 5.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -161.2 89.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 31.2 m -105.95 -175.44 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.52 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 0.507 ' C ' ' CG ' ' G' ' 10' ' ' TYR . . . -158.83 156.86 27.9 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.1 OUTLIER -153.73 154.14 33.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.63 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -151.96 149.36 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.418 ' O ' HG23 ' G' ' 12' ' ' VAL . 7.9 m -118.32 108.32 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.559 ' HD1' ' HB3' ' F' ' 13' ' ' HIS . 0.9 OUTLIER -121.45 91.77 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.764 ' ND1' ' N ' ' G' ' 15' ' ' GLN . 42.2 t-80 -128.26 161.24 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.537 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.764 ' N ' ' ND1' ' G' ' 14' ' ' HIS . 9.5 mt-30 -101.66 -158.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 20.2 mmtp 39.0 -104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 145.08 30.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.499 HG12 HG22 ' H' ' 18' ' ' VAL . 3.7 p -152.47 150.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.692 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.586 ' CE2' HG11 ' G' ' 36' ' ' VAL . 0.5 OUTLIER -158.51 156.23 29.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.581 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.833 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 167.45 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 0.0 111.221 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.45 115.13 16.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.097 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.02 134.62 40.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' H' ' 23' ' ' ASP . 15.0 t70 -148.92 119.92 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.252 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 3.9 m -84.98 176.17 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.656 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.65 -123.11 6.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.97 153.14 46.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.751 0.31 . . . . 0.0 110.529 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.535 ' N ' ' OD2' ' F' ' 23' ' ' ASP . 61.3 t30 -81.85 160.68 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -175.75 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.49 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.39 90.29 0.11 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.802 ' C ' HD12 ' G' ' 31' ' ' ILE . . . -152.02 -168.05 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.595 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.802 HD12 ' C ' ' G' ' 30' ' ' ALA . 4.6 mp -146.46 145.65 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.214 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.69 146.24 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 147.61 18.16 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.783 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.1 pt? -153.07 150.71 29.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.543 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -152.65 150.59 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.588 HG12 ' H ' ' H' ' 36' ' ' VAL . 12.3 m -153.06 153.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.689 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 149.99 21.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 148.31 19.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.458 HG12 HG23 ' G' ' 40' ' ' VAL . 67.9 t -106.38 126.75 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.544 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.458 HG23 HG12 ' G' ' 39' ' ' VAL . 87.8 t . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.87 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.492 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.27 92.93 9.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -77.25 -97.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -98.49 97.28 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.514 ' C ' ' H ' ' H' ' 8' ' ' SER . 57.1 m80 -148.37 92.89 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.58 35.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 69.8 m -65.08 171.99 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.91 153.92 25.14 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' G' ' 10' ' ' TYR . 74.9 t80 -146.89 145.43 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.686 0.279 . . . . 0.0 110.338 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 0.506 ' OE2' ' NE2' ' I' ' 13' ' ' HIS . 14.4 tt0 -148.5 147.09 28.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.528 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.19 148.8 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' I' ' 13' ' ' HIS . 36.9 t60 -168.39 132.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.678 ' H ' ' NE2' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -160.46 -155.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.779 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.541 ' O ' ' C ' ' H' ' 16' ' ' LYS . 28.4 mt-30 -132.5 -158.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.559 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 3.7 tttp 26.65 -94.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' H' ' 15' ' ' GLN . 5.3 tt -147.57 145.36 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.402 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' H' ' 14' ' ' HIS . 38.1 t -150.18 147.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.682 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -157.09 155.38 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.621 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.714 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER 173.15 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.213 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.37 122.39 39.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.318 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 3.1 mp0 -97.55 111.35 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.633 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.449 ' O ' ' HA ' ' G' ' 23' ' ' ASP . 46.5 t0 -135.67 111.82 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.416 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 35.3 m -103.93 179.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' G' ' 24' ' ' VAL . . . 87.09 -114.16 4.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 67.4 p -142.23 129.84 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' H' ' 28' ' ' LYS . 49.6 t30 -70.15 -178.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.545 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -138.65 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.7 92.17 0.79 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -150.59 -154.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.65 144.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.208 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.98 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' H' ' 34' ' ' LEU . . . -153.77 150.97 22.75 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.833 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -157.33 156.48 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.492 ' O ' ' SD ' ' H' ' 35' ' ' MET . 4.6 ppp? -149.62 149.08 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.285 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.588 ' H ' HG12 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.69 147.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.455 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.63 148.77 20.3 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.78 148.14 19.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 86.6 t -108.98 141.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.783 0.325 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.532 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -80.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.96 86.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -82.51 46.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -159.01 151.89 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 4.5 p80 -102.15 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p30 179.21 -169.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.567 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 68.4 m 59.32 159.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . 0.608 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -166.65 163.59 37.1 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' J' ' 10' ' ' TYR . 44.4 m-85 -147.58 149.25 32.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.658 0.266 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' J' ' 11' ' ' GLU . 0.9 OUTLIER -146.83 143.7 28.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.851 ' H ' ' N ' ' J' ' 12' ' ' VAL . 14.3 m -115.16 107.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.666 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' H' ' 13' ' ' HIS . 9.7 m170 -40.28 -102.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.546 ' O ' ' CB ' ' I' ' 15' ' ' GLN . 7.8 p80 178.19 -109.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.678 ' NE2' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER 85.58 169.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' I' ' 15' ' ' GLN . 8.1 mmtp -20.58 -84.16 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.719 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.507 HD12 ' O ' ' J' ' 17' ' ' LEU . 66.4 tp -146.37 144.02 29.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.242 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -147.65 146.65 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 13.0 t80 -152.6 149.29 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.714 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 10.5 p90 175.11 -173.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.164 0.507 . . . . 0.0 111.373 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.47 126.33 47.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.409 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.64 117.94 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.692 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 9.6 t0 -142.06 113.38 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.371 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.435 HG22 HG12 ' J' ' 24' ' ' VAL . 4.0 m -124.78 -173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.17 -98.14 2.34 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 47.5 t -146.81 114.79 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.88 177.76 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -126.46 166.12 17.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.39 97.32 1.8 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.79 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -151.48 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.659 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 49.0 mt -145.1 144.62 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.9 145.2 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.837 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.92 148.55 19.81 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.837 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.8 mp -150.64 149.39 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.573 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' I' ' 35' ' ' MET . 0.0 OUTLIER -148.02 146.45 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' H' ' 36' ' ' VAL . 0.0 OUTLIER -148.75 147.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.536 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.4 149.12 20.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.23 149.75 21.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 57.2 t -110.13 119.91 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' J' ' 40' ' ' VAL . 87.6 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.608 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.27 34.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.05 41.82 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -140.88 -79.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -46.06 166.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' J' ' 6' ' ' HIS . 25.7 m-70 -60.1 -120.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . 0.586 ' C ' ' O ' ' I' ' 8' ' ' SER . 12.2 m-20 51.98 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.0 OUTLIER -35.79 159.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.473 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.69 73.07 0.58 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.919 ' O ' ' O ' ' I' ' 10' ' ' TYR . 27.1 t80 -149.24 146.85 27.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.836 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 0.0 OUTLIER -144.56 140.69 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.851 ' N ' ' H ' ' I' ' 12' ' ' VAL . 1.8 t -64.43 -65.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.583 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.675 ' H ' HG23 ' I' ' 12' ' ' VAL . 3.5 t-160 60.84 97.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.643 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.659 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 18.3 m80 -169.59 -172.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.544 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.556 ' O ' ' C ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER 48.69 170.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.556 ' C ' ' O ' ' J' ' 15' ' ' GLN . 25.7 mmtp 23.91 -117.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.714 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.507 ' O ' HD12 ' I' ' 17' ' ' LEU . 66.6 tp -148.47 145.98 28.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CE1' ' J' ' 20' ' ' PHE . 83.0 t -150.22 148.58 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.606 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 10.2 t80 -155.26 153.24 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.622 ' HB3' ' H ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER 172.58 -171.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.074 0.464 . . . . 0.0 111.172 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.34 111.14 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -88.79 88.7 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -116.6 115.29 25.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.364 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.435 HG12 HG22 ' I' ' 24' ' ' VAL . 4.1 m -138.76 -176.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.594 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.06 -89.88 1.56 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 55.1 p -143.62 117.17 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.728 HD22 ' H ' ' J' ' 28' ' ' LYS . 0.3 OUTLIER -92.59 169.14 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.728 ' H ' HD22 ' J' ' 27' ' ' ASN . 0.1 OUTLIER -105.78 153.85 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.0 105.73 3.15 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.699 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.03 -120.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.623 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' J' ' 31' ' ' ILE . 19.0 pt -146.74 145.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.26 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.66 146.41 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.449 ' O ' HD22 ' J' ' 34' ' ' LEU . . . -151.13 148.56 19.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.632 HD13 ' H ' ' J' ' 35' ' ' MET . 0.1 OUTLIER -149.94 148.98 29.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.51 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.652 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.67 145.54 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.2 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.442 HG22 ' C ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -154.44 153.44 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.76 153.58 24.9 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.71 148.87 20.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 m -123.92 147.64 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' I' ' 40' ' ' VAL . 48.2 t . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' GLU . . . -152.97 95.08 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 52.46 171.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -172.61 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.15 -45.86 11.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -60.46 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -144.96 162.06 37.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER -96.79 22.64 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 10' ' ' TYR . . . -151.01 148.67 20.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.703 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 0.3 OUTLIER 161.26 -158.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.111 0.481 . . . . 0.0 110.9 179.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' H ' ' B' ' 11' ' ' GLU . 10.7 pt-20 -146.35 147.08 30.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.752 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -114.72 147.52 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.933 -179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.674 ' CA ' ' HA ' ' B' ' 14' ' ' HIS . 4.2 p80 -165.87 130.9 2.37 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.714 ' ND1' ' CE1' ' B' ' 14' ' ' HIS . 10.8 m80 -157.46 -148.03 0.2 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.591 ' N ' ' HA ' ' B' ' 15' ' ' GLN . 57.7 mt-30 -128.55 162.37 27.41 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 1.047 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 10.3 ptpp? -25.02 140.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.432 ' O ' ' CB ' ' B' ' 17' ' ' LEU . 0.6 OUTLIER 155.1 -151.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 179.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.04 ' HB ' HG13 ' B' ' 18' ' ' VAL . 0.2 OUTLIER -164.68 166.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.919 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.6 t80 178.22 -179.52 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 0.0 111.014 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' C' ' 34' ' ' LEU . 54.0 m-85 -172.58 171.62 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.85 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' B' ' 21' ' ' ALA . . . -173.5 -146.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.5 pm0 -160.63 -120.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.61 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.614 ' CB ' ' H ' ' B' ' 27' ' ' ASN . 3.6 t0 -47.18 88.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' VAL . 3.9 p -52.46 124.63 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.5 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.5 -52.24 0.71 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -154.18 163.27 40.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.39 104.66 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 11.1 tptp -97.32 -148.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 28' ' ' LYS . . . -65.31 88.73 0.1 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' B' ' 30' ' ' ALA . . . -157.59 135.8 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 110.422 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 1.382 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 1.5 mm -70.68 -64.73 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.798 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.376 ' CG2' ' H ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 152.01 -147.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.146 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 1.376 ' H ' ' CG2' ' A' ' 32' ' ' ILE . . . 155.37 -156.98 27.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.049 ' N ' ' HB3' ' B' ' 34' ' ' LEU . 15.6 tp -146.61 145.07 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 1.315 ' CA ' ' O ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -146.21 147.0 31.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.443 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.052 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER 68.02 70.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' B' ' 37' ' ' GLY . . . -139.35 137.71 8.77 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.715 ' HA2' HD22 ' F' ' 34' ' ' LEU . . . 152.84 -149.25 20.82 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.706 ' O ' ' O ' ' B' ' 38' ' ' GLY . 26.4 t -102.4 160.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 0.0 110.712 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 15.2 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.673 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 -101.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.49 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -66.02 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' B' ' 6' ' ' HIS . 67.3 mtp85 -80.21 -116.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 5' ' ' ARG . 4.8 m-70 49.75 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -88.74 145.2 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.8 OUTLIER -118.55 86.66 2.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.522 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -151.8 149.96 21.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.972 ' O ' ' O ' ' C' ' 10' ' ' TYR . 31.8 m-85 -141.2 141.45 34.06 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.908 ' O ' HG12 ' B' ' 12' ' ' VAL . 18.3 tt0 -64.71 -72.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.106 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 1.069 HG23 ' N ' ' C' ' 12' ' ' VAL . 7.9 p 119.43 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 110.381 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.996 ' C ' ' O ' ' C' ' 14' ' ' HIS . 52.6 t-80 -105.97 160.28 15.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.591 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 1.284 ' N ' ' O ' ' C' ' 14' ' ' HIS . 3.1 t60 175.9 -132.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.424 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.655 ' HB2' ' NE2' ' C' ' 15' ' ' GLN . 29.2 mt-30 -53.51 -145.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.191 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 1.047 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 22.6 tttp -136.86 -34.05 0.75 Allowed 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.573 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 1.432 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 1.9 mm? -66.31 -70.87 0.22 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.223 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 1.279 ' CB ' ' HB ' ' C' ' 18' ' ' VAL . 0.7 OUTLIER -141.05 140.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 121.985 -0.447 . . . . 0.0 110.246 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 1.081 ' CE2' ' CE2' ' C' ' 20' ' ' PHE . 0.0 OUTLIER -65.88 -77.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -178.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.919 ' CD2' ' HB3' ' A' ' 19' ' ' PHE . 1.1 m-85 155.37 -151.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.914 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 1.154 ' HA ' ' CE1' ' C' ' 20' ' ' PHE . . . -147.23 117.7 7.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.482 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.455 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -169.74 123.73 0.77 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.501 ' OD1' ' C ' ' B' ' 23' ' ' ASP . 5.2 p-10 -93.78 167.01 11.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.065 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.501 HG21 ' O2P' ' C' ' 101' ' ' 2PO . 2.7 m -73.53 155.23 6.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.23 -92.37 0.17 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.523 ' CB ' ' OD2' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -147.43 156.01 42.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.652 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.614 ' H ' ' CB ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -127.52 89.32 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.588 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.589 ' H ' ' CD ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -84.29 98.36 9.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.067 179.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.612 ' HA3' HD13 ' C' ' 31' ' ' ILE . . . -126.13 -137.45 4.65 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 1.027 ' N ' ' O ' ' C' ' 30' ' ' ALA . . . -128.73 -72.4 0.61 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.576 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 1.382 ' HB ' ' CB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -146.51 146.0 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.477 -178.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 1.283 HG23 ' O ' ' B' ' 31' ' ' ILE . 1.9 pp 146.99 -146.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.12 0.486 . . . . 0.0 111.113 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 1.099 ' O ' HD22 ' B' ' 34' ' ' LEU . . . 63.93 72.11 0.74 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.382 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 1.099 HD22 ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER 177.62 -178.09 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.021 0.438 . . . . 0.0 111.103 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 1.315 ' O ' ' CA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER 175.65 -171.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.282 0.563 . . . . 0.0 111.457 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.71 ' N ' ' HG3' ' B' ' 35' ' ' MET . 0.0 OUTLIER -156.17 148.88 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.221 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.796 ' H ' ' H ' ' A' ' 37' ' ' GLY . . . -138.91 141.1 11.55 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.706 ' O ' ' O ' ' A' ' 39' ' ' VAL . . . -60.26 -77.42 0.18 Allowed Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.456 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.958 HG22 ' H ' ' C' ' 40' ' ' VAL . 1.4 m -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.964 0.411 . . . . 0.0 110.975 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.625 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.18 -56.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -167.24 138.94 3.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -61.66 -78.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -91.55 123.57 35.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -83.56 139.1 33.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -164.79 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.184 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 2.1 t 47.45 -114.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.469 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.684 ' N ' ' OG ' ' C' ' 8' ' ' SER . . . 155.44 -153.53 24.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.972 ' O ' ' O ' ' B' ' 10' ' ' TYR . 0.0 OUTLIER -154.4 149.69 27.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 1.029 ' HA ' ' CB ' ' B' ' 12' ' ' VAL . 1.2 pt-20 157.08 -153.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.605 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 1.069 ' N ' HG23 ' B' ' 12' ' ' VAL . 78.8 t 99.3 54.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 1.214 ' ND1' ' O ' ' C' ' 13' ' ' HIS . 0.0 OUTLIER 167.92 -0.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 1.284 ' O ' ' N ' ' B' ' 14' ' ' HIS . 7.8 m170 -7.17 -64.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.891 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 1.132 ' OE1' ' N ' ' B' ' 17' ' ' LEU . 0.0 OUTLIER -64.39 -69.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.337 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.877 ' O ' ' CG1' ' D' ' 18' ' ' VAL . 29.0 ttmt 139.96 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.95 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER -75.69 -67.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.965 -178.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 1.279 ' HB ' ' CB ' ' B' ' 18' ' ' VAL . 0.3 OUTLIER -70.04 -78.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 1.029 ' H ' ' CG1' ' C' ' 18' ' ' VAL . 0.1 OUTLIER 69.59 70.88 0.24 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.025 -179.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 1.154 ' CE1' ' HA ' ' B' ' 21' ' ' ALA . 5.1 p90 -63.24 -73.76 0.11 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.872 0.367 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 1.022 ' HB3' ' O ' ' D' ' 21' ' ' ALA . . . 162.37 -156.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' D' ' 22' ' ' GLU . 0.3 OUTLIER 171.91 104.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' C' ' 24' ' ' VAL . 0.7 OUTLIER -88.74 168.24 12.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.524 HG22 ' H ' ' C' ' 26' ' ' SER . 2.1 p -35.54 143.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.604 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.54 -49.97 6.98 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.524 ' H ' HG22 ' C' ' 24' ' ' VAL . 26.5 m -85.6 102.99 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.665 ' ND2' ' N ' ' C' ' 28' ' ' LYS . 1.6 t30 -109.63 168.34 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.665 ' N ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -127.82 89.53 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.4 -175.65 43.92 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 1.027 ' O ' ' N ' ' B' ' 30' ' ' ALA . . . -72.6 -26.65 61.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.786 0.327 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 1.171 ' O ' HG23 ' D' ' 31' ' ' ILE . 9.3 tp 150.68 -152.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.753 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.993 ' O ' HD13 ' B' ' 32' ' ' ILE . 0.0 OUTLIER -148.78 143.97 18.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 1.029 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -149.48 151.1 23.27 Favored Glycine 0 N--CA 1.46 0.281 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.526 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 1.142 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -141.98 137.45 31.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 1.043 ' HA ' ' HB2' ' B' ' 35' ' ' MET . 1.3 tmt? -143.94 144.99 31.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.895 ' O ' ' HE3' ' B' ' 35' ' ' MET . 1.8 p 158.06 -154.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' D' ' 37' ' ' GLY . . . 155.76 -156.16 26.82 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 1.15 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -151.41 148.09 18.76 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.205 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.7 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 1.5 t -108.29 119.11 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.287 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.958 ' H ' HG22 ' B' ' 39' ' ' VAL . 41.5 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.57 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.01 -101.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.411 ' OE2' ' O ' ' D' ' 24' ' ' VAL . 65.3 mt-10 -50.81 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -75.73 -51.82 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -153.09 45.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.52 ' N ' ' ND1' ' D' ' 6' ' ' HIS . 0.5 OUTLIER -81.16 -161.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.1 10.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.1 OUTLIER 51.46 -100.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.443 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.814 ' O ' ' HA ' ' C' ' 10' ' ' TYR . . . 63.71 71.36 0.86 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 1.006 ' O ' ' N ' ' C' ' 11' ' ' GLU . 0.0 OUTLIER -63.25 -73.68 0.11 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.947 0.403 . . . . 0.0 110.933 -179.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 1.258 ' CA ' ' O ' ' E' ' 10' ' ' TYR . 23.2 tt0 72.55 69.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.514 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.951 ' H ' ' HA ' ' E' ' 11' ' ' GLU . 0.2 OUTLIER -126.9 167.02 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.784 0.326 . . . . 0.0 110.484 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.957 ' HA ' HG21 ' D' ' 18' ' ' VAL . 49.1 t-80 78.73 156.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' D' ' 13' ' ' HIS . 42.5 t-80 -151.98 -40.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 32.5 tt0 -179.88 76.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.805 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' H ' ' D' ' 17' ' ' LEU . 11.1 mttm 162.88 -104.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.618 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 1.147 ' O ' HG13 ' D' ' 18' ' ' VAL . 1.1 pp -148.32 144.16 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 1.147 HG13 ' O ' ' D' ' 17' ' ' LEU . 0.0 OUTLIER 172.71 -173.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 119.918 -0.713 . . . . 0.0 112.208 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 1.108 ' CE1' ' HB3' ' E' ' 21' ' ' ALA . 0.0 OUTLIER 72.76 69.77 0.13 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.041 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 1.254 ' CA ' ' HB2' ' E' ' 21' ' ' ALA . 0.1 OUTLIER -146.83 140.06 25.49 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.462 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 1.047 ' H ' ' HA ' ' E' ' 21' ' ' ALA . . . 112.41 98.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.692 ' H ' ' CG2' ' E' ' 32' ' ' ILE . 0.1 OUTLIER 75.81 176.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.507 178.525 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.919 ' HA ' ' CG ' ' E' ' 22' ' ' GLU . 0.0 OUTLIER -116.85 -154.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.625 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.411 ' O ' ' OE2' ' D' ' 3' ' ' GLU . 0.0 OUTLIER -124.12 61.06 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.432 ' HA3' HD21 ' E' ' 27' ' ' ASN . . . 147.48 -22.61 1.52 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.698 ' OG ' ' N ' ' E' ' 29' ' ' GLY . 0.0 OUTLIER -157.32 175.79 13.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.782 0.325 . . . . 0.0 110.745 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.94 ' HB3' ' C ' ' E' ' 31' ' ' ILE . 76.8 m-20 -156.57 -115.7 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 1.333 ' N ' ' H ' ' E' ' 31' ' ' ILE . 20.8 mtpt -179.8 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.542 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 1.155 ' C ' ' HB ' ' E' ' 31' ' ' ILE . . . -34.1 -125.58 0.0 OUTLIER Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.262 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 1.265 ' C ' HG12 ' E' ' 31' ' ' ILE . . . -112.92 36.69 3.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 1.171 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.3 tp 53.34 68.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.964 ' CG1' ' H ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER 161.41 -163.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.347 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.964 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 69.67 71.49 0.99 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.536 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 1.245 HD22 ' N ' ' D' ' 35' ' ' MET . 0.1 OUTLIER -143.75 139.55 29.49 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 1.245 ' N ' HD22 ' D' ' 34' ' ' LEU . 1.7 mpt? -152.89 152.13 31.16 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.888 ' HA ' ' O ' ' E' ' 36' ' ' VAL . 0.7 OUTLIER -172.29 172.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.003 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 1.142 ' O ' ' O ' ' C' ' 37' ' ' GLY . . . 63.74 68.2 1.75 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 1.15 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -63.85 -72.37 0.7 Allowed Glycine 0 CA--C 1.525 0.662 0 C-N-CA 121.178 -0.534 . . . . 0.0 111.822 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.7 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 0.1 OUTLIER -120.12 152.29 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 110.715 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.487 ' OXT' ' O ' ' C' ' 40' ' ' VAL . 87.2 t . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' E' ' 1' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.2 38.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -166.18 114.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -171.35 63.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.43 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -139.95 152.31 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.656 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . 0.476 ' CG ' ' N ' ' E' ' 7' ' ' ASP . 12.1 t-160 -55.39 -102.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . 0.476 ' N ' ' CG ' ' E' ' 6' ' ' HIS . 29.2 t70 -57.56 150.4 19.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 96.0 p -160.06 -89.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.566 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' E' ' 8' ' ' SER . . . 162.45 -163.67 35.2 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 1.258 ' O ' ' CA ' ' D' ' 11' ' ' GLU . 0.6 OUTLIER 168.98 -167.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 0.0 111.073 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.951 ' HA ' ' H ' ' D' ' 12' ' ' VAL . 0.0 OUTLIER -62.27 -67.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.927 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.821 ' HB ' ' O ' ' E' ' 11' ' ' GLU . 8.9 p 127.45 -43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 0.0 110.419 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.77 ' CB ' ' HD1' ' D' ' 13' ' ' HIS . 35.6 m80 -138.38 130.08 27.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.51 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' E' ' 14' ' ' HIS . 1.8 t60 -110.66 -11.43 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' E' ' 14' ' ' HIS . 18.4 mm100 -44.94 171.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 54.16 -113.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' E' ' 17' ' ' LEU . 29.6 tp -147.18 145.08 29.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.538 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.695 ' O ' ' CD1' ' E' ' 19' ' ' PHE . 1.2 m -149.58 145.92 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.017 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 1.136 ' C ' ' CD2' ' E' ' 20' ' ' PHE . 1.0 OUTLIER 159.06 -152.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.709 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 1.136 ' CD2' ' C ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 52.5 67.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.026 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 1.254 ' HB2' ' CA ' ' D' ' 20' ' ' PHE . . . -171.51 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.919 ' CG ' ' HA ' ' D' ' 23' ' ' ASP . 1.0 OUTLIER -166.7 -170.45 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.913 -178.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.556 ' O ' ' CD ' ' E' ' 22' ' ' GLU . 3.1 p30 -96.76 -155.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.494 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' E' ' 26' ' ' SER . 28.9 m -74.51 -153.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.372 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.49 43.78 0.34 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.432 ' N ' ' O ' ' E' ' 24' ' ' VAL . 7.5 t -145.61 115.7 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.688 ' HB2' ' HG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -152.08 160.3 43.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.461 ' N ' ' OG ' ' D' ' 26' ' ' SER . 0.1 OUTLIER -147.04 97.83 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.819 ' HA3' ' O ' ' D' ' 27' ' ' ASN . . . 174.3 -165.68 37.33 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.808 ' C ' HD12 ' E' ' 31' ' ' ILE . . . -131.97 -10.0 3.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.662 0.268 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 1.333 ' H ' ' N ' ' D' ' 28' ' ' LYS . 3.8 mp -161.94 159.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.432 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.742 ' O ' ' O ' ' D' ' 32' ' ' ILE . 0.9 OUTLIER -151.55 151.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.059 0.457 . . . . 0.0 110.958 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.718 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -146.16 142.24 10.36 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.84 ' HB2' HD23 ' D' ' 34' ' ' LEU . 0.4 OUTLIER -145.03 145.48 31.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 1.191 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.4 OUTLIER -143.56 140.9 30.45 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 1.191 HG13 ' O ' ' E' ' 35' ' ' MET . 0.3 OUTLIER 159.86 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-O 121.153 0.502 . . . . 0.0 110.432 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.77 ' HA2' ' H ' ' D' ' 37' ' ' GLY . . . 160.14 -160.68 31.88 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.379 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' D' ' 39' ' ' VAL . . . -151.23 150.29 22.21 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 40' ' ' VAL . 2.3 m -92.6 114.02 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' E' ' 39' ' ' VAL . 3.0 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.6 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.76 -125.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -141.9 -10.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 9.4 t80 49.81 83.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -151.59 46.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 m80 53.11 -138.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -61.53 133.9 56.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.0 m -106.47 136.74 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.79 153.6 24.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' OE2' ' F' ' 22' ' ' GLU . 0.4 OUTLIER -152.78 151.07 30.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.873 0.368 . . . . 0.0 110.731 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.5 148.59 29.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 t -104.22 96.09 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 8.3 t-80 -107.51 111.2 23.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 32.4 m-70 -164.16 -173.86 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.424 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 6.7 mt-30 -139.92 -168.55 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 61.9 tttt 63.55 -117.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.625 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.1 pp -152.46 149.65 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.184 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 1.039 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.5 p 170.69 -170.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.062 0.458 . . . . 0.0 111.263 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 1.039 ' H ' HG22 ' F' ' 18' ' ' VAL . 1.1 p90 -151.01 151.57 32.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.077 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.91 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 34.1 m-85 -152.73 150.59 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.12 110.41 22.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.451 ' OE2' ' CD2' ' F' ' 10' ' ' TYR . 1.5 tp10 -82.79 106.94 15.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -141.42 104.34 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' G' ' 25' ' ' GLY . 6.3 m -74.52 145.63 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.57 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.79 -106.79 3.4 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 t -155.39 157.82 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -78.01 123.99 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -81.49 -172.7 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.08 89.42 0.04 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.1 179.41 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' G' ' 31' ' ' ILE . 1.5 mt -147.61 146.17 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.333 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.76 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 2.1 pp -145.04 144.24 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.261 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.889 ' O ' ' HB2' ' F' ' 34' ' ' LEU . . . -158.89 155.96 27.02 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 1.009 ' HB3' ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER 150.03 -150.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 1.176 ' O ' ' CA ' ' G' ' 35' ' ' MET . 19.4 mtm -154.16 150.55 28.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.256 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.404 HG21 ' CG ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -148.59 150.2 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.731 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . 66.45 71.12 0.96 Allowed Glycine 0 C--O 1.224 -0.485 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 1.091 ' O ' ' HA3' ' G' ' 38' ' ' GLY . . . -146.43 142.05 10.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 1.014 ' HA ' ' H ' ' G' ' 39' ' ' VAL . 2.9 m -128.44 -110.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.913 0.387 . . . . 0.0 110.39 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 31' ' ' ILE . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t0 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.67 166.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -88.34 -154.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -152.15 160.47 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 59.56 -135.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . 0.51 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.0 OUTLIER -156.81 -144.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . 0.51 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 19.4 t70 56.2 103.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.199 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 5.2 m -167.25 149.45 6.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 0.508 ' C ' ' CD1' ' G' ' 10' ' ' TYR . . . -158.98 157.13 28.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.667 ' CE1' HG11 ' G' ' 24' ' ' VAL . 10.3 m-85 -151.09 150.61 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.74 150.7 30.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' OH ' ' H' ' 10' ' ' TYR . 16.2 m -119.9 144.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' G' ' 14' ' ' HIS . 22.4 t-80 -154.71 155.2 34.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.465 ' N ' ' CG ' ' G' ' 13' ' ' HIS . 0.1 OUTLIER -167.51 -157.15 0.22 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.695 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -133.17 -100.81 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.838 ' O ' ' HB2' ' H' ' 16' ' ' LYS . 3.6 tttm -40.45 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -143.38 141.52 30.93 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.59 147.52 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.853 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.2 OUTLIER -158.76 156.84 30.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.652 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.91 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 170.75 -169.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.542 ' HB2' HD11 ' H' ' 34' ' ' LEU . . . -119.44 111.68 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.448 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' G' ' 22' ' ' GLU . 1.0 OUTLIER -93.91 106.8 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.568 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' G' ' 23' ' ' ASP . 0.3 OUTLIER -134.2 121.3 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.461 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.69 ' N ' HG11 ' H' ' 24' ' ' VAL . 32.0 m -90.6 -171.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.443 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 64.44 -86.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -158.7 160.28 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 110.539 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -69.18 170.8 9.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.85 139.16 35.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.651 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' H' ' 28' ' ' LYS . . . -75.53 83.49 0.89 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -163.28 -134.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.417 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' F' ' 31' ' ' ILE . 24.0 mt -142.19 140.74 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 1.011 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 4.8 mp -145.48 144.05 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.523 ' HA3' HD23 ' F' ' 34' ' ' LEU . . . -145.1 143.02 11.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 1.009 ' O ' ' HB3' ' F' ' 34' ' ' LEU . 0.3 OUTLIER -146.91 145.04 29.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.711 -179.6 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 1.227 ' O ' ' HB3' ' H' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.45 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.823 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 1.204 HG13 ' O ' ' G' ' 35' ' ' MET . 1.0 OUTLIER 151.99 -149.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.523 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.732 ' O ' ' N ' ' F' ' 38' ' ' GLY . . . 64.14 69.6 1.29 Allowed Glycine 0 C--O 1.221 -0.684 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 1.091 ' HA3' ' O ' ' F' ' 38' ' ' GLY . . . 147.17 -142.81 10.62 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.334 -1.107 . . . . 0.0 110.334 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 1.014 ' H ' ' HA ' ' F' ' 39' ' ' VAL . 90.9 t -86.3 -82.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.941 0.4 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.72 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.7 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.541 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -177.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -167.81 99.59 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.518 ' O ' ' CD1' ' H' ' 4' ' ' PHE . 18.0 p90 -132.63 63.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.516 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' H' ' 5' ' ' ARG . 3.7 mmp_? -71.8 154.46 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.555 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.439 ' HD1' ' C ' ' H' ' 6' ' ' HIS . 4.6 t-80 -84.99 -48.3 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.69 136.19 38.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 11.3 m -170.23 120.53 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.26 17.47 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.469 ' CZ ' HG12 ' H' ' 12' ' ' VAL . 48.2 t80 -147.55 145.88 29.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 110.413 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.64 147.95 29.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.506 HG22 HG12 ' I' ' 12' ' ' VAL . 3.1 m -130.34 153.16 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.998 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.53 ' C ' ' CG ' ' H' ' 14' ' ' HIS . 16.8 p80 -176.81 128.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.555 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -157.95 -155.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' H' ' 16' ' ' LYS . 1.7 tp-100 -125.06 -161.3 1.01 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.838 ' HB2' ' O ' ' G' ' 16' ' ' LYS . 12.0 mptt 36.04 -101.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -144.82 142.39 29.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.951 ' O ' HG21 ' I' ' 18' ' ' VAL . 51.9 t -151.79 148.38 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.766 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.766 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -159.02 159.21 34.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.718 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.546 ' N ' ' CG ' ' H' ' 19' ' ' PHE . 0.2 OUTLIER 177.62 -177.94 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.138 0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.92 149.7 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.364 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -126.27 115.31 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.478 ' C ' HG22 ' H' ' 24' ' ' VAL . 7.3 t0 -129.97 117.44 20.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.343 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.69 HG11 ' N ' ' G' ' 24' ' ' VAL . 0.0 OUTLIER -161.23 94.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.468 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.07 -96.52 0.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 38.0 p -141.52 84.7 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 110.621 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.747 ' H ' ' NZ ' ' H' ' 28' ' ' LYS . 5.6 p30 -161.33 93.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.747 ' NZ ' ' H ' ' H' ' 27' ' ' ASN . 2.4 mptp? -140.56 84.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' H' ' 30' ' ' ALA . . . 168.21 69.95 0.03 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.581 ' O ' ' HB1' ' G' ' 30' ' ' ALA . . . 175.74 -140.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' I' ' 31' ' ' ILE . 8.0 mt -145.54 144.85 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.111 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 1.011 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 2.9 mt -145.76 144.87 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.356 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.874 ' C ' HD23 ' H' ' 34' ' ' LEU . . . -153.77 150.02 21.61 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.874 HD23 ' C ' ' H' ' 33' ' ' GLY . 0.0 OUTLIER -146.67 147.2 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 1.227 ' HB3' ' O ' ' G' ' 35' ' ' MET . 0.1 OUTLIER -151.69 149.45 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.359 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 1.16 ' H ' ' CG2' ' G' ' 36' ' ' VAL . 0.4 OUTLIER -171.1 167.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 111.659 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.654 ' O ' ' CA ' ' G' ' 37' ' ' GLY . . . 63.62 68.22 1.75 Allowed Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.737 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 1.053 ' O ' ' CA ' ' I' ' 38' ' ' GLY . . . -161.18 158.56 30.24 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 1.152 ' O ' HG12 ' I' ' 39' ' ' VAL . 2.6 t -57.12 -87.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.581 -0.364 . . . . 0.0 110.258 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.914 ' N ' HG12 ' H' ' 39' ' ' VAL . 1.8 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' I' ' 1' ' ' ASP . 11.1 p-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -134.5 74.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' I' ' 2' ' ' ALA . 48.3 mt-10 58.85 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -146.26 -68.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.523 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . 0.527 ' O ' ' ND1' ' I' ' 6' ' ' HIS . 44.3 ttp180 -153.65 102.28 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.461 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' I' ' 5' ' ' ARG . 29.4 m-70 -145.41 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.35 -96.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 1.8 m 63.8 103.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' I' ' 10' ' ' TYR . . . -149.77 146.92 16.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' J' ' 10' ' ' TYR . 32.3 m-85 -145.27 145.15 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.338 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.624 ' HA ' ' O ' ' J' ' 11' ' ' GLU . 7.0 pt-20 -150.31 148.4 28.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.545 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.535 HG22 HG12 ' J' ' 12' ' ' VAL . 3.0 m -137.92 144.97 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.655 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.5 ' O ' ' CB ' ' I' ' 14' ' ' HIS . 27.2 p80 -157.52 163.88 37.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.541 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.5 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.4 OUTLIER 80.97 -152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' H ' ' H' ' 14' ' ' HIS . 2.2 mt-30 64.74 142.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' J' ' 16' ' ' LYS . 37.0 tttp -81.29 -58.95 2.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.49 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 1.172 ' HA ' ' O ' ' J' ' 17' ' ' LEU . 2.3 pp -149.49 145.83 27.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 1.016 HG22 ' H ' ' I' ' 19' ' ' PHE . 3.7 p 159.99 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.839 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 1.016 ' H ' HG22 ' I' ' 18' ' ' VAL . 19.3 t80 -160.16 159.37 31.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' I' ' 20' ' ' PHE . 0.0 OUTLIER -149.76 149.85 31.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.228 179.656 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.13 115.96 19.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.469 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -103.98 105.26 15.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.668 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -123.98 124.63 43.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.505 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.845 HG12 ' H ' ' I' ' 25' ' ' GLY . 21.4 t -148.43 179.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.845 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 95.98 -93.75 1.58 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -146.31 110.53 5.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' H' ' 27' ' ' ASN . 6.9 m-20 -90.87 177.18 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.455 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.619 ' HB2' ' HB3' ' J' ' 30' ' ' ALA . 0.0 OUTLIER -83.26 -179.73 7.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.07 100.71 0.83 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.912 ' N ' ' HB1' ' J' ' 30' ' ' ALA . . . -179.64 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.683 0.277 . . . . 0.0 110.674 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 1.122 ' H ' ' N ' ' J' ' 31' ' ' ILE . 30.7 mt -155.0 153.43 8.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 CA-C-O 120.933 0.397 . . . . 0.0 110.78 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.62 HG23 ' O ' ' H' ' 31' ' ' ILE . 0.1 OUTLIER -151.41 151.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.209 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.984 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -156.59 153.52 24.78 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.984 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -158.23 157.78 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.447 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 1.037 ' HB3' ' HB3' ' J' ' 35' ' ' MET . 7.2 ttt -176.16 175.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.471 . . . . 0.0 111.234 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 1.028 HG13 ' O ' ' I' ' 35' ' ' MET . 0.0 OUTLIER 163.57 -162.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.574 179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' J' ' 37' ' ' GLY . . . 59.94 68.87 1.47 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . 1.305 ' N ' ' O ' ' J' ' 37' ' ' GLY . . . -167.37 164.63 38.05 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 1.26 ' O ' HG12 ' J' ' 39' ' ' VAL . 9.7 p -27.07 -96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.643 0.259 . . . . 0.0 110.367 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 1.111 ' N ' HG13 ' I' ' 39' ' ' VAL . 11.1 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.05 118.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -156.27 0.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -82.53 -172.6 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 44.71 89.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -55.22 -74.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.92 109.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.4 OUTLIER -90.86 36.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . 0.576 ' HA2' ' H ' ' I' ' 10' ' ' TYR . . . -155.51 155.92 26.61 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.715 ' H ' ' H ' ' I' ' 10' ' ' TYR . 1.6 t80 -60.3 -70.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.624 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 2.2 tp10 -153.72 154.26 33.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' J' ' 12' ' ' VAL . 26.1 m -131.96 95.43 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.425 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.452 ' H ' ' CD2' ' J' ' 13' ' ' HIS . 6.4 m-70 -82.19 179.93 7.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.5 t60 76.06 135.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -141.51 -0.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.829 ' O ' ' O ' ' I' ' 16' ' ' LYS . 49.2 tttp -71.04 83.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 1.172 ' O ' ' HA ' ' I' ' 17' ' ' LEU . 22.5 mt 60.28 69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' J' ' 19' ' ' PHE . 19.5 m -154.31 150.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' J' ' 18' ' ' VAL . 9.6 m-85 -149.53 149.78 31.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.307 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' J' ' 12' ' ' VAL . 0.2 OUTLIER -147.62 145.37 28.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.282 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.03 112.03 23.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.32 98.77 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.468 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.486 ' OD2' ' CB ' ' J' ' 27' ' ' ASN . 0.0 OUTLIER -144.76 154.37 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.887 HG23 ' H ' ' J' ' 26' ' ' SER . 5.0 m -60.42 -177.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.88 -6.37 0.12 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.887 ' H ' HG23 ' J' ' 24' ' ' VAL . 8.7 t -93.85 83.99 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.486 ' CB ' ' OD2' ' J' ' 23' ' ' ASP . 6.5 t-20 -173.93 -142.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.472 ' H ' ' CG ' ' J' ' 27' ' ' ASN . 84.0 mttt -62.99 96.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.443 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.671 ' O ' ' HB ' ' J' ' 32' ' ' ILE . . . -145.47 -167.09 12.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 1.046 ' O ' HG22 ' J' ' 31' ' ' ILE . . . -21.95 136.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.604 0.24 . . . . 0.0 110.444 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 1.122 ' N ' ' H ' ' I' ' 31' ' ' ILE . 14.1 tt 59.23 69.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.206 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.671 ' HB ' ' O ' ' J' ' 29' ' ' GLY . 0.3 OUTLIER -162.93 161.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.811 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.525 ' N ' HG23 ' J' ' 32' ' ' ILE . . . -150.72 151.13 23.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.666 ' CB ' ' HA ' ' I' ' 34' ' ' LEU . 0.1 OUTLIER -159.77 156.52 27.74 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.151 0.501 . . . . 0.0 110.22 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 1.207 ' O ' HG22 ' J' ' 36' ' ' VAL . 0.0 OUTLIER 162.83 -165.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.536 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 1.207 HG22 ' O ' ' J' ' 35' ' ' MET . 1.3 m 75.42 72.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 1.305 ' O ' ' N ' ' I' ' 38' ' ' GLY . . . -143.13 136.58 7.12 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . 0.985 ' O ' ' O ' ' J' ' 39' ' ' VAL . . . 149.04 -148.58 20.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 1.26 HG12 ' O ' ' I' ' 39' ' ' VAL . 0.8 OUTLIER -2.64 -134.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.15 0.475 . . . . 0.0 110.76 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 1.071 ' N ' HG13 ' J' ' 39' ' ' VAL . 89.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.546 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.184 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.199 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.88 -161.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.24 176.18 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.597 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.6 -40.63 4.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' HIS . 18.8 mmt85 -126.67 -113.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.54 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER 55.85 164.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 9' ' ' GLY . 2.9 p30 -162.27 144.44 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.8 OUTLIER -56.22 -7.39 0.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 7' ' ' ASP . . . -64.59 -65.91 2.75 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.795 ' HA ' ' HA ' ' B' ' 10' ' ' TYR . 3.4 p90 -153.24 149.63 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.841 ' H ' ' H ' ' B' ' 11' ' ' GLU . 69.3 mm-40 -155.46 156.6 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.937 ' O ' ' HB ' ' B' ' 12' ' ' VAL . 6.5 t 95.99 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.567 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 13.1 p80 -129.44 163.67 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 33.9 m80 -164.2 -118.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.561 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.688 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 7.7 pt20 -179.8 161.78 1.01 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.776 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' B' ' 14' ' ' HIS . 79.0 mttt 58.86 -105.73 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.541 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -148.44 144.3 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 19' ' ' PHE . 5.4 p 176.08 -174.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.221 0.534 . . . . 0.0 111.377 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.944 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -159.33 158.12 31.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -157.52 156.36 31.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HB2' HD21 ' B' ' 34' ' ' LEU . . . -149.94 107.74 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.512 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' B' ' 22' ' ' GLU . 1.4 pt-20 176.57 158.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 1.6 t70 -81.6 139.66 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.536 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 3.2 p -76.77 155.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.7 -57.43 4.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.0 p -147.68 164.9 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.474 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -131.1 104.52 7.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' B' ' 27' ' ' ASN . 8.3 ptpt -142.71 96.31 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.493 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.79 -178.25 19.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' B' ' 30' ' ' ALA . . . -69.29 -78.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.2 mt -147.68 146.83 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 pt -148.29 146.85 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.45 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 149.05 20.84 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -151.84 150.06 29.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.71 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 tpt -149.23 146.59 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.312 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.665 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 15.7 m -150.84 150.7 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.1 149.05 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 150.64 22.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' B' ' 39' ' ' VAL . 3.3 m -123.77 135.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.618 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' VAL . 8.8 p . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.86 -76.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -112.17 158.18 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' N ' ' B' ' 4' ' ' PHE . 6.6 p90 -136.63 -167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.611 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 59.48 154.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -73.43 -86.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.57 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.5 OUTLIER -158.66 135.0 9.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.571 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.943 ' HA2' ' H ' ' C' ' 9' ' ' GLY . . . -149.27 148.61 20.14 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 1.175 ' O ' ' O ' ' C' ' 10' ' ' TYR . 40.6 m-85 -145.41 143.09 29.88 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.392 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.911 ' HA ' ' O ' ' C' ' 10' ' ' TYR . 40.5 tt0 -146.62 147.04 30.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 1.01 HG13 ' H ' ' C' ' 12' ' ' VAL . 2.0 m -109.2 160.05 8.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.53 ' H ' ' HA ' ' A' ' 13' ' ' HIS . 2.0 t60 -165.83 147.23 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.688 ' CE1' ' H ' ' A' ' 15' ' ' GLN . 5.6 t60 -168.99 -165.54 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.646 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 30.4 tt0 -131.26 -119.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.433 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.606 ' C ' ' O ' ' B' ' 15' ' ' GLN . 6.0 mptp? -20.92 -83.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -148.88 145.91 27.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.208 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.466 HG21 ' ND1' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -151.58 150.99 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -147.19 146.07 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.264 179.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.948 ' O ' ' HB2' ' C' ' 20' ' ' PHE . 51.1 m-85 -150.21 148.07 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.656 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 22' ' ' GLU . . . -149.57 122.83 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER 171.55 172.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.742 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' C' ' 27' ' ' ASN . 2.2 p30 -110.8 148.39 32.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.482 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.498 HG21 ' O2P' ' C' ' 101' ' ' 2PO . 1.4 m -81.05 166.27 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.469 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.18 -88.98 1.37 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' C' ' 26' ' ' SER . 6.3 p -149.71 175.95 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' B' ' 28' ' ' LYS . 1.8 t30 -123.16 151.03 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.498 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 36.9 mttt -111.11 -169.98 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.654 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.08 91.63 0.16 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.886 ' O ' ' HB3' ' A' ' 30' ' ' ALA . . . -148.42 -174.04 4.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -143.88 142.8 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.19 144.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA2' ' C' ' 33' ' ' GLY . . . -153.72 151.43 23.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -167.04 166.21 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.075 -179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptm -153.58 152.36 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.666 HG12 HG22 ' C' ' 36' ' ' VAL . 33.6 m -151.53 150.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.33 151.46 23.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.15 147.39 17.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 HG23 ' A' ' 39' ' ' VAL . 2.7 p -123.42 145.92 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.621 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.415 ' OXT' ' O ' ' A' ' 40' ' ' VAL . 5.6 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' C' ' 2' ' ' ALA . 12.2 p-10 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' C' ' 1' ' ' ASP . . . 48.75 21.0 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -136.6 172.35 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -151.77 -151.12 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -80.77 146.59 30.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' B' ' 8' ' ' SER . 78.0 m-70 51.54 91.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.578 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.607 ' O ' ' C ' ' C' ' 8' ' ' SER . 0.3 OUTLIER -96.14 -161.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.453 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.5 OUTLIER -21.6 108.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.943 ' H ' ' HA2' ' B' ' 9' ' ' GLY . . . -63.34 -67.55 2.02 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 1.175 ' O ' ' O ' ' B' ' 10' ' ' TYR . 1.8 m-85 -151.67 149.49 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.728 ' C ' HG23 ' C' ' 12' ' ' VAL . 3.1 pt-20 -156.47 157.82 36.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.217 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 1.01 ' H ' HG13 ' B' ' 12' ' ' VAL . 3.3 t 88.72 29.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -95.16 77.53 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.54 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.494 ' NE2' ' CG2' ' D' ' 18' ' ' VAL . 10.0 p80 -108.3 -146.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.664 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' C' ' 16' ' ' LYS . 66.9 mt-30 -150.09 -94.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' C' ' 15' ' ' GLN . 0.3 OUTLIER -33.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.592 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.498 ' O ' HG23 ' C' ' 18' ' ' VAL . 2.1 pp -146.98 144.97 29.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.36 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' C' ' 17' ' ' LEU . 41.9 t -155.68 154.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.586 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -161.8 159.89 27.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.638 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.948 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER 163.47 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.06 121.55 18.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.415 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -120.76 136.9 54.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.09 142.28 26.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.646 HG22 ' N ' ' C' ' 25' ' ' GLY . 3.8 p -75.55 166.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.646 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 73.28 -165.73 54.75 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 26' ' ' SER . 13.5 p -101.46 161.21 13.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.575 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' B' ' 23' ' ' ASP . 22.7 t-20 -77.52 133.66 38.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.487 ' HZ3' ' HB2' ' D' ' 26' ' ' SER . 2.0 mmmt -87.94 177.06 7.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.512 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.33 92.18 0.09 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.19 -162.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.67 144.69 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.481 HG23 ' O ' ' D' ' 32' ' ' ILE . 13.0 mt -148.43 146.98 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.605 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.579 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.72 146.11 15.23 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.791 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.3 OUTLIER -149.9 149.82 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 110.693 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.4 ptp -150.33 147.65 27.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.666 HG22 HG12 ' B' ' 36' ' ' VAL . 31.0 m -151.29 150.86 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.74 149.63 21.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.36 148.35 19.47 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 40' ' ' VAL . 11.0 m -116.44 149.57 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.582 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' C' ' 39' ' ' VAL . 21.9 t . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.63 6.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -94.56 48.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -67.79 -169.83 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.615 ' N ' ' NE ' ' D' ' 5' ' ' ARG . 4.5 mmp_? -47.65 125.19 8.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.439 ' ND1' ' C ' ' D' ' 6' ' ' HIS . 0.0 OUTLIER -173.43 -169.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -157.42 41.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 15.0 m -51.23 145.97 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.923 ' O ' ' O ' ' C' ' 9' ' ' GLY . . . -153.69 151.0 22.79 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.767 ' HA ' ' HA ' ' C' ' 10' ' ' TYR . 0.8 OUTLIER -144.35 146.8 32.77 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' E' ' 11' ' ' GLU . 37.2 tt0 -147.3 145.53 29.4 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.888 ' H ' ' H ' ' E' ' 12' ' ' VAL . 0.7 OUTLIER -118.29 161.33 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 110.349 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.673 ' CD2' ' N ' ' D' ' 14' ' ' HIS . 43.7 t60 -88.23 170.95 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.673 ' N ' ' CD2' ' D' ' 13' ' ' HIS . 48.0 p-80 -138.59 105.63 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.59 -56.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.58 ' O ' ' CB ' ' E' ' 17' ' ' LEU . 4.5 tttm -120.86 -83.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 1.143 ' HA ' ' O ' ' E' ' 17' ' ' LEU . 2.0 pp -149.86 147.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.499 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.494 ' CG2' ' NE2' ' C' ' 14' ' ' HIS . 1.4 p -150.17 149.76 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.883 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 54.8 t80 -152.74 149.82 28.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.623 ' CZ ' ' CD1' ' E' ' 20' ' ' PHE . 6.1 p90 174.35 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.474 . . . . 0.0 111.249 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.21 124.51 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -113.61 116.25 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.793 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -141.89 129.76 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.149 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' C' ' 24' ' ' VAL . 2.9 m -94.67 -169.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.539 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.551 ' O ' HG13 ' C' ' 24' ' ' VAL . . . 64.81 -169.7 25.59 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.487 ' HB2' ' HZ3' ' C' ' 28' ' ' LYS . 5.0 p -92.51 132.59 36.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.473 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.42 -179.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.507 ' H ' ' HD3' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -125.67 162.55 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.38 92.59 0.5 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.932 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -153.34 -148.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.546 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.2 mt -145.6 145.11 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.481 ' O ' HG23 ' C' ' 32' ' ' ILE . 5.0 mt -148.57 147.17 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.426 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -149.04 147.07 17.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.426 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.56 147.91 28.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.425 ' C ' HG13 ' D' ' 36' ' ' VAL . 25.1 ptm -149.51 147.42 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.4 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.573 ' H ' HG12 ' C' ' 36' ' ' VAL . 32.4 m -153.76 152.93 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.38 153.1 24.58 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.3 147.43 17.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.71 135.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.752 0.311 . . . . 0.0 110.555 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.537 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' E' ' 1' ' ' ASP . 2.7 m-20 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.42 116.66 4.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.53 ' O ' ' CD2' ' E' ' 4' ' ' PHE . 33.8 tt0 -157.35 154.36 28.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.53 ' CD2' ' O ' ' E' ' 3' ' ' GLU . 68.5 m-85 -153.63 -158.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.696 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' E' ' 6' ' ' HIS . 80.4 mtp180 -94.53 -170.11 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . 0.606 ' ND1' ' N ' ' E' ' 7' ' ' ASP . 1.4 t-80 59.53 136.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . 0.606 ' N ' ' ND1' ' E' ' 6' ' ' HIS . 1.2 m-20 -56.64 -168.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.555 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 58.6 m -172.14 -10.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 0.505 ' HA3' ' CE1' ' D' ' 10' ' ' TYR . . . -154.39 153.96 25.18 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.579 ' CB ' ' O ' ' D' ' 10' ' ' TYR . 4.4 m-85 -153.33 152.04 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.671 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.71 ' CA ' HG13 ' D' ' 12' ' ' VAL . 0.9 OUTLIER -147.55 144.39 28.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.19 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.888 ' H ' ' H ' ' D' ' 12' ' ' VAL . 0.4 OUTLIER 67.43 132.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.72 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -111.13 -1.25 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 15.8 t60 -147.44 -136.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.533 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 9.0 pt20 -167.74 124.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 tttt 178.11 90.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.515 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 1.143 ' O ' ' HA ' ' D' ' 17' ' ' LEU . 4.1 mt 59.82 70.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.439 HG12 HG12 ' D' ' 18' ' ' VAL . 11.8 m -153.4 149.98 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.364 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.883 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 18.9 m-85 -159.33 157.76 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.61 -170.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.54 100.6 8.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.529 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.524 ' OE2' ' CE2' ' E' ' 20' ' ' PHE . 13.7 mt-10 -101.58 90.92 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -134.22 151.67 51.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.87 172.25 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.435 ' H ' HG22 ' D' ' 24' ' ' VAL . . . 72.35 -134.05 20.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -127.63 171.67 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.62 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -77.0 170.1 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.493 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -124.02 72.6 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.22 160.97 23.39 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.932 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -84.33 -17.92 37.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.401 HG21 HD13 ' E' ' 31' ' ' ILE . 14.5 pt -149.93 146.22 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' E' ' 32' ' ' ILE . 5.5 mm -148.38 146.95 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.325 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.23 148.61 20.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -151.53 149.29 29.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' E' ' 36' ' ' VAL . 1.5 ptt? -151.95 149.96 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.483 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.466 HG22 HG12 ' D' ' 36' ' ' VAL . 20.4 m -156.1 155.36 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.67 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.44 153.84 25.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.95 151.6 23.37 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.35 160.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.548 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.603 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.44 -10.93 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' F' ' 25' ' ' GLY . 87.2 tt0 -172.49 150.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.57 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -59.29 170.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . 0.453 ' O ' ' ND1' ' F' ' 6' ' ' HIS . 84.5 mtm-85 -117.98 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' F' ' 5' ' ' ARG . 9.9 m80 -139.9 -105.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.0 48.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.173 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 62.1 p -158.1 -56.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.98 -67.22 2.17 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 60.9 m-85 -63.45 -70.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.785 0.326 . . . . 0.0 110.415 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.799 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 5.5 pt-20 -150.35 147.43 27.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.119 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' G' ' 11' ' ' GLU . 7.4 p -101.44 129.43 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.711 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 20.7 p80 -168.26 -173.53 2.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 3.9 m80 -177.05 -6.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.498 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.5 ' O ' ' CE1' ' G' ' 14' ' ' HIS . 20.4 mt-30 63.02 167.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 59.91 -117.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 1.099 ' O ' HG13 ' F' ' 18' ' ' VAL . 2.2 pp -148.81 145.21 27.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.014 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 1.099 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER 164.83 -162.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.059 0.456 . . . . 0.0 110.932 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.785 ' HD2' ' H ' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -153.7 152.84 31.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.46 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.851 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 20.6 m-85 -155.46 154.38 31.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 120.08 36.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.535 ' O ' ' O ' ' G' ' 23' ' ' ASP . 12.0 mp0 -86.34 122.86 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.529 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.659 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 25.3 t0 -149.66 102.83 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 4.6 p -50.39 143.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.418 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.541 ' N ' ' OE1' ' F' ' 3' ' ' GLU . . . 66.09 -164.04 40.74 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 p -96.51 167.03 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -74.89 132.14 41.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' F' ' 30' ' ' ALA . 43.8 mmtt -84.49 -161.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.473 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.19 77.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' F' ' 28' ' ' LYS . . . -151.42 -168.72 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.415 HG21 HD13 ' F' ' 31' ' ' ILE . 10.7 mt -146.06 144.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tt -149.58 148.16 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.633 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.69 20.15 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.577 ' O ' HD12 ' F' ' 34' ' ' LEU . 0.3 OUTLIER -151.28 148.95 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.578 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -149.61 147.93 28.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.531 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 0.5 OUTLIER -147.89 147.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.567 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.21 149.18 20.81 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.03 157.05 27.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -128.65 140.59 48.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.635 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 m . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.5 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 60.4 t0 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.76 -54.73 11.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -103.11 22.11 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 43.21 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -79.68 107.25 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -78.13 -100.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p30 40.8 32.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.686 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 50.9 m -75.89 172.74 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.79 148.75 20.35 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' F' ' 10' ' ' TYR . 4.3 p90 -151.28 148.45 28.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.528 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.799 ' H ' ' HA ' ' F' ' 11' ' ' GLU . 9.3 mt-10 -148.34 148.54 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.258 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.516 ' CG2' HG12 ' H' ' 12' ' ' VAL . 3.6 t -97.21 146.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.591 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -164.67 87.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -108.73 -152.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -135.23 -78.95 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 20.1 mtpp -74.54 -82.0 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.623 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' F' ' 17' ' ' LEU . 0.2 OUTLIER -146.63 145.07 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.444 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.64 146.98 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.73 ' CD1' ' N ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER -156.48 155.09 31.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.851 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 20.9 p90 168.23 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.96 152.91 37.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.581 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.641 ' HB3' ' H ' ' H' ' 23' ' ' ASP . 26.4 tt0 -118.05 100.58 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.662 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.659 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 32.5 t0 -126.42 100.1 6.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.264 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.443 HG12 ' H ' ' F' ' 24' ' ' VAL . 1.6 m -123.76 -169.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.518 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 84.95 -82.94 1.65 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 31.8 m -154.82 107.46 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 110.556 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -83.54 119.47 24.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -92.11 -174.67 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.41 100.81 0.56 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -152.37 -164.98 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.579 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 mt -145.69 144.88 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.197 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -147.33 145.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.42 149.06 20.77 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.897 ' N ' HD23 ' G' ' 34' ' ' LEU . 1.1 pt? -155.08 153.26 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.758 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mtm -148.79 148.25 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.316 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.469 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.02 147.07 17.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.21 148.21 19.2 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.25 142.21 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 110.529 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.512 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 -48.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -80.52 140.55 35.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -156.15 -27.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -85.3 95.84 9.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 0.0 OUTLIER -61.68 -9.04 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.625 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -50.31 -32.67 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 3.5 m -52.9 149.2 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' H' ' 10' ' ' TYR . . . -153.55 151.87 23.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 0.1 OUTLIER -151.96 152.07 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.759 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 0.551 ' OE1' ' ND1' ' H' ' 13' ' ' HIS . 4.8 tm-20 -156.46 153.68 29.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.639 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.516 HG12 ' CG2' ' G' ' 12' ' ' VAL . 1.5 m -112.36 119.72 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.629 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.551 ' ND1' ' OE1' ' H' ' 11' ' ' GLU . 1.0 OUTLIER -68.31 -140.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.456 ' HA ' ' CD2' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -134.73 151.89 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.68 ' H ' ' CE1' ' I' ' 14' ' ' HIS . 0.2 OUTLIER 176.12 105.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' I' ' 16' ' ' LYS . 8.7 tttt 31.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.2 pp -145.39 143.24 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.646 HG13 HG23 ' I' ' 18' ' ' VAL . 0.2 OUTLIER -148.22 146.58 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.484 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.9 OUTLIER -156.11 152.87 28.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.741 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.609 ' HB3' ' H ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 168.29 -166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.77 108.89 12.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.272 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -86.55 101.3 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.64 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.641 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 37.7 t0 -124.97 117.04 23.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.639 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.0 OUTLIER -121.02 -176.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -92.31 1.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -153.79 132.26 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.52 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -81.32 178.07 8.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -132.02 165.78 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.607 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.57 97.08 1.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.888 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -157.72 -144.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.872 0.368 . . . . 0.0 110.545 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 mt -145.86 145.57 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.271 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.04 145.51 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.483 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.863 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.27 147.48 17.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.863 HD12 ' C ' ' H' ' 33' ' ' GLY . 6.0 mp -149.2 148.41 29.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.514 ' C ' HG12 ' H' ' 36' ' ' VAL . 21.1 ttt -149.03 145.98 27.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.187 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.514 HG12 ' C ' ' H' ' 35' ' ' MET . 0.5 OUTLIER -158.49 157.8 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.823 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.483 ' N ' HG23 ' H' ' 36' ' ' VAL . . . -157.15 156.63 27.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.79 148.82 20.38 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.61 145.64 32.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.553 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' I' ' 3' ' ' GLU . . . -80.89 148.03 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' I' ' 2' ' ' ALA . 23.8 mt-10 58.72 152.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.593 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.49 -120.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -138.59 -10.7 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 1.5 m80 -98.98 -167.56 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' CE1' ' J' ' 10' ' ' TYR . 4.6 m-20 -74.6 138.44 42.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.449 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 4.1 t -89.28 25.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.12 70.06 1.18 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' J' ' 10' ' ' TYR . 77.0 t80 -142.55 141.8 32.09 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.635 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 5.9 pt-20 -152.35 149.05 28.21 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.495 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' J' ' 12' ' ' VAL . 5.9 m -129.34 120.55 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -141.73 97.57 3.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.806 ' ND1' ' N ' ' I' ' 15' ' ' GLN . 60.1 t-80 -108.2 170.41 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.806 ' N ' ' ND1' ' I' ' 14' ' ' HIS . 7.6 tt0 -90.58 -105.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' H' ' 16' ' ' LYS . 6.8 mmtt -34.45 -90.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.7 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.764 HD23 ' C ' ' I' ' 17' ' ' LEU . 0.7 OUTLIER -147.66 145.68 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.538 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.646 HG23 HG13 ' H' ' 18' ' ' VAL . 14.7 p -147.33 145.83 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.549 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 3.0 t80 -153.87 150.5 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.334 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.584 ' CD1' ' OE2' ' I' ' 22' ' ' GLU . 0.3 OUTLIER 175.15 -173.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.054 0.454 . . . . 0.0 111.305 179.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.28 124.41 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.584 ' OE2' ' CD1' ' I' ' 20' ' ' PHE . 9.3 mp0 -99.45 103.82 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.428 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 56.5 t0 -122.52 115.45 22.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.469 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.639 HG13 ' H ' ' H' ' 24' ' ' VAL . 0.3 OUTLIER -140.8 -163.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.569 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 77.73 -80.9 1.29 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -149.01 109.43 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.74 0.305 . . . . 0.0 110.581 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.428 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -84.54 173.04 11.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.516 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 156.7 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.63 87.73 1.26 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.888 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -146.94 -123.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 110.591 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 31' ' ' ILE . 38.7 mt -145.26 144.03 21.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.244 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' I' ' 32' ' ' ILE . 2.3 mt -147.04 145.55 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.827 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.7 148.86 20.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.827 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.7 mp -150.32 149.89 30.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.792 0.33 . . . . 0.0 110.515 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.442 ' C ' HG13 ' I' ' 36' ' ' VAL . 50.5 mtt -150.94 147.71 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.512 HG12 HG22 ' J' ' 36' ' ' VAL . 18.3 m -154.35 154.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.65 152.07 23.73 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.12 149.19 20.95 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.43 134.41 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.495 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.515 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' J' ' 2' ' ' ALA . 20.2 t0 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' J' ' 1' ' ' ASP . . . -73.39 -4.67 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.49 78.51 6.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.0 107.87 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 46.59 -102.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . 0.484 ' ND1' ' O ' ' J' ' 6' ' ' HIS . 17.1 p80 -175.25 107.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -159.85 -114.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.172 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.7 OUTLIER 72.48 32.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . 0.695 ' N ' ' H ' ' I' ' 8' ' ' SER . . . 159.28 -157.54 28.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.872 ' O ' ' O ' ' I' ' 10' ' ' TYR . 0.2 OUTLIER -157.11 156.25 32.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.688 ' CB ' HG22 ' I' ' 12' ' ' VAL . 0.0 OUTLIER -146.55 143.11 28.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.752 ' H ' ' H ' ' I' ' 12' ' ' VAL . 0.9 OUTLIER -97.97 -141.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.628 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' J' ' 14' ' ' HIS . 0.1 OUTLIER 153.43 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.506 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 1.3 m170 163.03 -173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.565 ' O ' ' C ' ' J' ' 16' ' ' LYS . 10.2 mp0 60.45 -165.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' J' ' 15' ' ' GLN . 3.5 tmtt? -23.23 -96.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.504 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 4.6 tp -152.53 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.47 148.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.511 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 36.2 t80 -151.77 149.11 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -161.11 160.51 30.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.408 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.41 113.85 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.424 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -91.61 103.79 16.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -131.22 114.77 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.4 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.512 HG13 ' H ' ' I' ' 24' ' ' VAL . 0.5 OUTLIER -148.89 176.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.543 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.502 ' H ' HG12 ' J' ' 24' ' ' VAL . . . 95.85 -93.53 1.57 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.417 ' C ' HD22 ' J' ' 27' ' ' ASN . 1.9 t -138.57 105.62 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 0.0 110.515 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.64 ' N ' HD22 ' J' ' 27' ' ' ASN . 0.9 OUTLIER -92.99 175.94 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.534 ' HD2' ' H ' ' J' ' 28' ' ' LYS . 0.1 OUTLIER -99.92 151.31 21.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.92 104.17 3.13 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.846 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -165.49 -111.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.44 146.15 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' J' ' 32' ' ' ILE . 18.5 mm -147.03 145.39 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.222 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.13 149.31 21.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -149.61 148.06 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.445 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.456 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -151.47 148.52 28.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.512 HG22 HG12 ' I' ' 36' ' ' VAL . 18.9 m -155.84 155.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.653 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.63 153.89 25.12 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.47 149.62 21.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.0 153.54 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.598 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.173 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.172 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.96 31.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 51.5 -155.74 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.05 63.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 6' ' ' HIS . 83.1 mtt180 -149.58 145.74 26.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.656 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.723 ' H ' ' CB ' ' A' ' 10' ' ' TYR . 94.3 m-70 57.48 134.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 44.8 43.31 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 1.3 p 168.72 76.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.46 68.61 1.6 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.723 ' CB ' ' H ' ' A' ' 6' ' ' HIS . 4.7 t80 -157.39 156.55 32.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.729 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.32 152.91 30.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.28 133.16 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -158.68 139.95 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.622 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 1.3 t60 -170.53 -154.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.623 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -130.45 -167.63 1.85 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 43.8 mttm 42.62 -105.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.62 144.01 30.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.12 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.0 t -148.29 146.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 110.432 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -151.7 150.54 30.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.616 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.882 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 41.8 m-85 -155.03 153.74 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' HB2' HD13 ' B' ' 34' ' ' LEU . . . -165.29 114.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 178.62 173.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.784 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 26' ' ' SER . 2.9 t70 -90.8 125.24 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.454 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.667 ' O ' HG13 ' B' ' 24' ' ' VAL . 2.2 t -103.82 119.84 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.31 -80.41 0.36 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 94.8 p -139.14 115.7 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.607 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -95.47 124.88 39.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -96.87 -165.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.468 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.69 87.4 0.08 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -144.67 -175.59 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.476 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 31' ' ' ILE . 47.2 mt -145.81 144.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.188 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -148.97 146.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.17 148.96 20.75 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -149.88 147.87 28.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.653 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -148.01 145.59 28.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HG22 ' B' ' 36' ' ' VAL . 16.0 m -149.76 149.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.796 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.95 148.27 19.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.68 149.49 21.34 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -115.88 136.15 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.7 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.613 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.486 ' HB3' ' HE2' ' C' ' 6' ' ' HIS . . . -67.44 -73.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -104.15 -178.62 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -52.45 154.81 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -71.52 -59.77 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -69.9 -170.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.545 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.85 159.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.598 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 9.3 t -62.61 -25.38 68.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.454 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.94 68.98 1.45 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -144.71 142.85 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -149.44 148.23 29.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.784 0.326 . . . . 0.0 110.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.59 ' CG2' HG12 ' C' ' 12' ' ' VAL . 13.0 m -126.39 137.94 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.0 p80 176.92 144.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.557 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.724 ' CG ' HG21 ' B' ' 18' ' ' VAL . 36.6 m-70 -139.28 -120.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -146.68 -50.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 19.3 mmtm -87.57 -91.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 pp -145.8 144.09 30.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.288 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.724 HG21 ' CG ' ' B' ' 14' ' ' HIS . 42.8 t -153.06 150.37 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.517 ' C ' ' CG ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -159.89 158.82 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.882 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 171.6 -171.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.171 0.51 . . . . 0.0 111.619 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.33 117.8 14.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.921 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.527 ' OE1' ' ND1' ' A' ' 6' ' ' HIS . 37.0 mm-40 -86.47 138.98 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 111.126 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 12.3 t70 -149.28 104.97 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.12 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 1.054 HG12 ' H ' ' B' ' 25' ' ' GLY . 3.5 t -136.39 -154.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.66 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 1.054 ' H ' HG12 ' B' ' 24' ' ' VAL . . . 76.09 -71.73 1.94 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -167.63 98.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.72 144.31 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 -170.4 2.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.607 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 95.73 0.38 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.471 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -147.75 -168.1 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.417 HG21 HD13 ' B' ' 31' ' ' ILE . 13.4 mt -144.41 143.39 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.305 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -145.53 142.88 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.4 152.62 24.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.65 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.5 pt? -160.01 157.93 29.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.404 ' C ' HG13 ' B' ' 36' ' ' VAL . 13.5 mtt -150.38 149.36 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.181 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.618 HG22 HG12 ' A' ' 36' ' ' VAL . 24.6 m -151.91 151.12 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.717 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.16 152.51 24.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.11 150.69 22.59 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -126.81 142.7 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.634 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.616 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.33 166.8 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 49.55 59.9 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.41 -95.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -74.2 4.75 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.573 ' ND1' ' N ' ' C' ' 6' ' ' HIS . 0.3 OUTLIER -77.28 107.23 9.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.414 ' C ' ' OG ' ' C' ' 8' ' ' SER . 53.0 m-20 -68.48 -42.54 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.1 OUTLIER 63.29 123.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.536 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.773 ' H ' ' H ' ' B' ' 8' ' ' SER . . . -150.17 147.11 16.95 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' C' ' 10' ' ' TYR . 0.1 OUTLIER -148.47 147.74 29.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.634 0.254 . . . . 0.0 110.363 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.18 149.99 30.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.728 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.59 HG12 ' CG2' ' B' ' 12' ' ' VAL . 4.0 m -110.57 141.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.445 ' HD1' ' CE1' ' C' ' 14' ' ' HIS . 0.3 OUTLIER -100.32 -159.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.669 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' C' ' 15' ' ' GLN . 15.1 p-80 -77.73 165.58 24.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.573 ' CB ' ' O ' ' C' ' 14' ' ' HIS . 12.3 tt0 154.84 136.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.525 ' C ' ' O ' ' C' ' 15' ' ' GLN . 12.1 tptt -29.86 -76.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.24 142.96 29.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.124 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 146.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.632 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.526 ' CD2' HG21 ' D' ' 36' ' ' VAL . 3.6 t80 -153.35 150.6 29.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' B' ' 20' ' ' PHE . 18.5 p90 176.15 -175.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.069 0.462 . . . . 0.0 111.361 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.87 126.76 43.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.329 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.1 102.08 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.588 ' OD1' ' OG ' ' D' ' 26' ' ' SER . 2.2 t70 -121.82 95.67 4.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.325 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.63 HG22 ' N ' ' C' ' 25' ' ' GLY . 2.6 p -141.29 166.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.62 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.63 ' N ' HG22 ' C' ' 24' ' ' VAL . . . 113.07 -79.95 0.27 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 38.8 p -156.23 105.97 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.591 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 8.5 t-20 -72.46 167.29 20.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.591 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -138.61 162.15 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.72 76.11 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' C' ' 28' ' ' LYS . . . -134.63 -159.63 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 110.69 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' D' ' 31' ' ' ILE . 12.6 mt -145.44 146.7 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.39 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.883 HD12 ' N ' ' C' ' 32' ' ' ILE . 0.1 OUTLIER -146.0 141.74 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.472 ' HA3' HG13 ' D' ' 32' ' ' ILE . . . -144.68 144.76 13.68 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.878 HD12 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -150.62 148.21 28.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.467 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.465 ' SD ' ' C ' ' C' ' 34' ' ' LEU . 3.7 mpp? -146.44 146.76 30.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.977 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.903 ' HA ' ' O ' ' D' ' 36' ' ' VAL . 0.7 OUTLIER -151.35 148.43 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.41 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.432 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -153.76 152.84 24.39 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . -149.24 147.81 18.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' C' ' 40' ' ' VAL . 2.8 m -125.52 140.89 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 110.581 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' D' ' 40' ' ' VAL . 15.8 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.11 -6.06 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.593 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' D' ' 3' ' ' GLU . 48.6 mp0 -143.51 -151.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -141.7 -125.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.578 ' O ' ' CG ' ' D' ' 6' ' ' HIS . 0.0 OUTLIER -155.84 93.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.649 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.587 ' H ' ' CD ' ' E' ' 3' ' ' GLU . 27.2 m-70 -164.34 77.33 0.35 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.515 ' O ' ' O3P' ' E' ' 101' ' ' 2PO . 5.9 m-20 56.52 -176.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.704 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 1.1 p -133.3 -6.99 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.629 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 1.146 ' CA ' ' H ' ' E' ' 9' ' ' GLY . . . 65.59 67.55 1.98 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 1.161 ' O ' ' O ' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -147.81 144.61 28.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.801 ' CA ' ' O ' ' E' ' 10' ' ' TYR . 1.8 pm0 -143.56 143.9 31.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' E' ' 11' ' ' GLU . 4.3 m -121.19 134.4 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.684 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' D' ' 13' ' ' HIS . 17.9 t-160 -148.76 53.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' D' ' 14' ' ' HIS . 9.2 p80 -75.6 -144.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -150.55 -37.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.655 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' E' ' 16' ' ' LYS . 10.7 mmtm -92.6 -98.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.7 143.88 30.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.213 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.12 147.66 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 0.0 110.633 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' E' ' 19' ' ' PHE . 1.6 t80 -152.82 149.76 28.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.574 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.5 OUTLIER 171.56 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.83 116.98 24.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.586 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -109.11 118.25 36.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.611 ' N ' ' O3P' ' D' ' 101' ' ' 2PO . 6.3 t70 -147.06 138.58 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.726 HG13 ' O ' ' D' ' 24' ' ' VAL . 7.4 p -71.75 111.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' C' ' 24' ' ' VAL . . . 125.96 -146.94 16.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.588 ' OG ' ' OD1' ' C' ' 23' ' ' ASP . 3.7 m -139.63 173.56 11.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.769 0.319 . . . . 0.0 110.547 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.593 ' O ' ' O ' ' D' ' 28' ' ' LYS . 24.9 m120 -57.53 107.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.291 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.637 ' O ' ' O ' ' D' ' 29' ' ' GLY . 59.4 mmtt -51.79 -156.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.456 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.637 ' O ' ' O ' ' D' ' 28' ' ' LYS . . . -37.38 170.56 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' E' ' 30' ' ' ALA . . . -22.8 139.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.532 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 1.151 ' O ' ' O ' ' C' ' 31' ' ' ILE . 3.8 mt -163.82 161.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.553 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' E' ' 32' ' ' ILE . 3.6 tt 156.4 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 1.037 ' H ' ' CG1' ' D' ' 32' ' ' ILE . . . 66.23 70.31 1.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.594 -0.603 . . . . 0.0 111.594 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.859 HD12 ' O ' ' E' ' 34' ' ' LEU . 0.9 OUTLIER -144.83 141.06 28.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.918 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.1 tmt? -157.51 156.91 32.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.903 ' O ' ' HA ' ' C' ' 36' ' ' VAL . 11.6 m -158.42 158.88 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.69 ' O ' ' HA3' ' E' ' 37' ' ' GLY . . . -154.87 152.3 23.86 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.644 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . -154.08 152.76 24.31 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG12 ' E' ' 39' ' ' VAL . 1.4 m -119.01 164.66 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' C' ' 40' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.57 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . 0.415 ' H ' ' HA ' ' D' ' 3' ' ' GLU . . . -84.56 -167.0 1.62 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' D' ' 6' ' ' HIS . 13.8 tt0 69.23 115.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -129.75 -178.99 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.53 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -92.21 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.542 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -169.65 59.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t0 52.41 91.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.1 OUTLIER -156.08 165.13 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.416 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 1.146 ' H ' ' CA ' ' D' ' 9' ' ' GLY . . . 64.78 69.98 1.2 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 1.161 ' O ' ' O ' ' D' ' 10' ' ' TYR . 62.0 m-85 -146.21 142.81 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.729 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.3 OUTLIER -145.66 144.97 30.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.412 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' E' ' 13' ' ' HIS . 3.4 t -73.33 -55.76 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 110.75 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.66 ' CE1' HG13 ' E' ' 18' ' ' VAL . 6.6 t60 83.56 -146.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.464 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.58 ' H ' ' CD2' ' E' ' 13' ' ' HIS . 3.1 t-160 71.77 -145.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.466 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 10.1 mm100 60.56 -176.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' D' ' 16' ' ' LYS . 0.0 OUTLIER -39.41 -89.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.343 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.439 ' H ' ' HB3' ' E' ' 16' ' ' LYS . 60.0 tp -146.35 144.02 29.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.232 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.66 HG13 ' CE1' ' E' ' 13' ' ' HIS . 0.7 OUTLIER -148.12 146.01 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.433 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 57.1 t80 -155.68 153.19 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.572 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 175.98 -175.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.135 0.493 . . . . 0.0 111.244 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 107.38 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -89.53 73.22 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' D' ' 23' ' ' ASP . 5.5 t70 -106.14 118.75 37.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.076 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.634 HG23 ' N ' ' E' ' 25' ' ' GLY . 0.9 OUTLIER -112.6 -172.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.634 ' N ' HG23 ' E' ' 24' ' ' VAL . . . 79.31 -101.51 1.87 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' E' ' 27' ' ' ASN . 5.8 t -136.26 175.39 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.529 ' H ' ' CE ' ' D' ' 28' ' ' LYS . 0.6 OUTLIER -126.8 -173.81 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.644 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -97.3 136.94 37.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.708 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . -91.8 113.76 4.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' D' ' 30' ' ' ALA . . . 170.16 -98.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.539 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' D' ' 31' ' ' ILE . 59.6 mt -147.96 145.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.895 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 1.228 ' O ' ' O ' ' D' ' 32' ' ' ILE . 47.6 mt -145.49 147.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.537 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.713 ' CA ' ' O ' ' D' ' 33' ' ' GLY . . . -156.19 152.35 23.77 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.859 ' O ' HD12 ' D' ' 34' ' ' LEU . 1.6 mt -153.88 154.47 33.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.682 0.277 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 1.046 ' O ' HG13 ' E' ' 36' ' ' VAL . 0.0 OUTLIER -150.07 144.85 26.02 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 1.046 HG13 ' O ' ' E' ' 35' ' ' MET . 0.0 OUTLIER 168.08 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.018 0.437 . . . . 0.0 110.754 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.69 ' HA3' ' O ' ' D' ' 37' ' ' GLY . . . 168.26 -166.99 39.91 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.99 155.43 26.29 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.446 HG12 HG22 ' D' ' 39' ' ' VAL . 31.0 m -114.91 141.19 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.757 0.313 . . . . 0.0 110.612 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.547 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.62 -162.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' F' ' 3' ' ' GLU . 1.2 pm0 -156.66 150.95 25.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' F' ' 3' ' ' GLU . 54.3 m-85 55.85 115.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.57 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.29 -36.45 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.471 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -60.11 -168.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . 0.503 ' OD2' ' CE1' ' G' ' 6' ' ' HIS . 13.9 t70 -44.47 129.58 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.2 OUTLIER -73.49 105.24 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.519 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' G' ' 9' ' ' GLY . . . -150.21 148.51 19.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.43 150.06 29.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -150.89 149.32 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -121.59 158.04 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -174.69 142.97 0.75 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.582 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 3.3 t-80 -170.28 -161.15 0.24 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' F' ' 17' ' ' LEU . 12.1 pt20 -125.36 -167.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 59.5 mttm 39.27 -93.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.632 HD12 ' O ' ' F' ' 17' ' ' LEU . 0.3 OUTLIER -146.53 144.63 29.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.093 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.654 HG12 HG22 ' G' ' 18' ' ' VAL . 0.3 OUTLIER -151.17 148.48 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.886 0.374 . . . . 0.0 110.506 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.776 ' CE1' HD12 ' F' ' 34' ' ' LEU . 0.1 OUTLIER -154.49 153.5 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.526 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.799 ' H ' ' HB3' ' G' ' 20' ' ' PHE . 32.5 m-85 -157.96 157.67 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.606 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -161.84 114.92 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -178.1 172.62 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 17.5 t70 -98.79 134.18 42.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG13 ' G' ' 24' ' ' VAL . 6.0 t -97.27 132.55 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.9 -85.63 0.4 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t -143.73 117.41 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -84.07 133.93 34.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.566 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' F' ' 28' ' ' LYS . 10.3 mptt -93.01 -173.0 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.79 87.61 0.21 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.97 -171.05 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.416 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 64.2 mt -145.32 144.07 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.253 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.411 HD13 HG21 ' F' ' 32' ' ' ILE . 1.9 mt -147.09 145.41 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.464 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.437 ' O ' ' HA2' ' G' ' 33' ' ' GLY . . . -152.47 150.55 22.38 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.776 HD12 ' CE1' ' F' ' 19' ' ' PHE . 1.1 pt? -158.53 156.95 31.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttt -150.92 148.97 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.57 HG12 HG22 ' G' ' 36' ' ' VAL . 15.7 m -150.05 149.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.696 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.68 149.76 21.45 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.37 151.86 23.65 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.12 123.09 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.626 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.1 -144.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 54.58 80.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -63.93 -150.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' G' ' 6' ' ' HIS . 15.4 mmm180 56.53 -177.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' G' ' 7' ' ' ASP . 0.3 OUTLIER -60.8 -132.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . 0.585 ' N ' ' CG ' ' G' ' 6' ' ' HIS . 23.5 t0 -160.12 166.37 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.7 OUTLIER 56.61 -127.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.462 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' F' ' 9' ' ' GLY . . . 62.69 68.41 1.68 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' G' ' 10' ' ' TYR . 15.6 p90 -152.82 151.16 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -151.56 151.15 31.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.622 ' O ' HG23 ' G' ' 12' ' ' VAL . 5.5 m -125.17 119.31 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.483 ' C ' ' CG ' ' G' ' 14' ' ' HIS . 1.1 p80 -131.61 150.34 52.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.685 ' CE1' HG11 ' G' ' 18' ' ' VAL . 0.5 OUTLIER 168.91 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.473 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -130.84 -166.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.591 ' CB ' ' O ' ' F' ' 16' ' ' LYS . 32.3 mmtm 57.2 -109.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.651 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tt -144.6 143.06 30.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.685 HG11 ' CE1' ' G' ' 14' ' ' HIS . 90.4 t -150.63 149.19 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.793 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.525 ' CD2' HG11 ' G' ' 36' ' ' VAL . 0.1 OUTLIER -157.95 155.21 29.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.799 ' HB3' ' H ' ' F' ' 20' ' ' PHE . 0.1 OUTLIER 174.24 -173.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.18 0.514 . . . . 0.0 111.408 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.85 113.55 13.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.036 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -86.56 123.8 32.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 47.4 t0 -138.55 110.49 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.275 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.916 HG12 ' H ' ' G' ' 25' ' ' GLY . 5.8 t -134.77 -178.66 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.552 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.916 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 95.33 -71.66 0.99 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -171.03 110.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.613 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.53 148.23 31.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.49 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -117.47 178.82 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.519 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.43 92.59 0.42 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -147.65 -165.56 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.47 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mt -145.3 144.48 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.252 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.4 144.62 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.315 . . . . 0.0 110.345 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' F' ' 33' ' ' GLY . . . -149.23 147.31 17.59 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.606 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.2 OUTLIER -152.02 150.98 30.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.2 ttt -148.88 146.09 27.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.196 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.576 HG12 HG22 ' H' ' 36' ' ' VAL . 35.0 m -150.5 150.19 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.23 150.09 21.87 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.95 148.13 19.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.547 HG12 ' N ' ' G' ' 40' ' ' VAL . 76.7 t -115.14 160.77 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.796 0.331 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.547 ' N ' HG12 ' G' ' 39' ' ' VAL . 11.0 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.521 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' H' ' 4' ' ' PHE . . . -79.34 -168.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . 0.416 ' OE2' ' CA ' ' G' ' 25' ' ' GLY . 4.5 mm-40 56.28 5.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.476 ' H ' ' C ' ' H' ' 2' ' ' ALA . 35.4 t80 49.41 -119.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . 0.439 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 32.2 ptt85 -177.45 73.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.505 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.578 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 6.9 t-160 -156.04 -138.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . 0.578 ' H ' ' CG ' ' H' ' 6' ' ' HIS . 37.4 t0 -62.96 150.71 41.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.617 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 15.9 m -167.18 104.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 0.43 ' H ' ' HB2' ' G' ' 8' ' ' SER . . . -160.9 159.7 31.28 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.518 ' CE2' ' CD2' ' I' ' 10' ' ' TYR . 14.3 p90 -157.97 156.24 30.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.803 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.08 149.14 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.616 HG22 HG12 ' I' ' 12' ' ' VAL . 6.2 m -125.12 155.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.731 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.554 ' O ' ' CD2' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -162.75 143.79 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.431 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.603 ' H ' ' HB3' ' I' ' 14' ' ' HIS . 0.0 OUTLIER -154.95 -153.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' H' ' 16' ' ' LYS . 65.4 mt-30 -140.29 -113.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' H' ' 15' ' ' GLN . 0.2 OUTLIER -22.89 -85.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.628 HD23 ' H ' ' H' ' 18' ' ' VAL . 0.4 OUTLIER -148.78 145.79 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.418 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.628 ' H ' HD23 ' H' ' 17' ' ' LEU . 17.5 t -152.87 151.17 12.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.782 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' H' ' 36' ' ' VAL . 0.8 OUTLIER -156.91 155.51 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.518 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.496 ' CD2' ' CE2' ' G' ' 20' ' ' PHE . 0.2 OUTLIER 174.74 -173.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 111.297 179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.26 120.92 21.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.208 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -94.49 102.47 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.434 ' CG ' HD21 ' H' ' 27' ' ' ASN . 55.2 t0 -119.3 113.76 21.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.315 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.867 HG22 ' H ' ' H' ' 25' ' ' GLY . 8.5 p -145.7 -179.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.597 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.867 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 97.18 -74.76 0.68 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -161.86 104.82 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.434 HD21 ' CG ' ' H' ' 23' ' ' ASP . 0.8 OUTLIER -77.25 178.97 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 171.32 14.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.58 91.35 0.86 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -148.53 -153.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 16.8 mt -144.74 144.45 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.148 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.49 144.57 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.569 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.45 147.25 17.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.818 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -147.38 146.26 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 0.0 110.391 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 11.5 ttt -147.88 145.55 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.606 HG12 HG22 ' I' ' 36' ' ' VAL . 35.2 m -153.06 152.6 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.51 149.53 21.3 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 150.4 22.29 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' D' ' 32' ' ' ILE . 94.4 t -119.97 136.77 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.568 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.528 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' I' ' 2' ' ' ALA . 17.2 t0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . 0.499 ' H ' ' CG ' ' I' ' 1' ' ' ASP . . . -147.12 148.39 31.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' I' ' 4' ' ' PHE . 38.1 mt-10 48.73 80.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' I' ' 3' ' ' GLU . 50.2 m-85 -42.76 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' I' ' 6' ' ' HIS . 5.2 ptm180 -178.41 65.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' I' ' 5' ' ' ARG . 73.4 m-70 -152.86 122.64 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' I' ' 6' ' ' HIS . 4.8 m-20 58.79 121.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 13.0 t -179.84 99.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . 0.561 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . -153.07 150.61 22.39 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.561 ' CD2' ' O ' ' I' ' 9' ' ' GLY . 0.2 OUTLIER -148.81 148.29 29.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -148.81 147.32 28.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.616 HG12 HG22 ' H' ' 12' ' ' VAL . 12.3 m -127.36 122.87 60.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' J' ' 13' ' ' HIS . 6.8 t-80 -131.66 138.25 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.603 ' HB3' ' H ' ' H' ' 14' ' ' HIS . 0.0 OUTLIER -176.34 -168.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -132.34 -157.96 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 17.3 mmtp 49.39 -108.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.664 HD23 ' H ' ' I' ' 18' ' ' VAL . 0.5 OUTLIER -146.75 143.38 28.64 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.664 ' H ' HD23 ' I' ' 17' ' ' LEU . 0.7 OUTLIER -149.71 149.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.811 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.524 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 32.3 t80 -152.77 149.71 28.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.153 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.8 p90 177.0 -176.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.121 0.486 . . . . 0.0 111.413 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.56 122.13 19.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.377 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -100.09 122.03 42.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.709 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -135.22 119.46 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.793 HG12 ' H ' ' I' ' 25' ' ' GLY . 3.5 t -143.71 178.19 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.793 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 94.52 -90.36 1.31 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -148.59 109.65 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.729 0.299 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -82.19 -172.5 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.506 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -136.12 157.57 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 101.04 1.28 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' J' ' 30' ' ' ALA . . . -159.6 -140.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.627 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -145.58 145.37 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.222 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.42 145.24 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.236 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.412 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.81 149.4 21.23 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.412 HD12 ' C ' ' I' ' 33' ' ' GLY . 3.1 mp -149.16 147.73 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.518 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' J' ' 35' ' ' MET . 15.7 ptt? -149.6 146.9 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.606 HG22 HG12 ' H' ' 36' ' ' VAL . 33.5 m -153.07 152.8 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.95 153.24 24.65 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.33 147.82 18.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.624 ' CG2' HG23 ' D' ' 32' ' ' ILE . 0.3 OUTLIER -95.54 154.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.294 . . . . 0.0 110.599 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.442 ' OXT' ' O ' ' I' ' 39' ' ' VAL . 74.4 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.13 13.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' J' ' 4' ' ' PHE . 4.7 tp10 -64.72 -61.74 2.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' J' ' 3' ' ' GLU . 60.2 m-85 54.25 166.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -91.88 174.47 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' J' ' 7' ' ' ASP . 2.4 t-80 65.42 151.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . 0.613 ' N ' ' ND1' ' J' ' 6' ' ' HIS . 1.8 m-20 64.44 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 14.2 p 60.22 91.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.5 148.71 20.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -149.04 148.22 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -150.62 149.15 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' J' ' 13' ' ' HIS . 3.0 p -120.71 160.1 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' I' ' 13' ' ' HIS . 25.6 m80 -161.4 89.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' J' ' 14' ' ' HIS . 5.8 p80 -106.36 -158.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -143.06 -33.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 11.4 mptt -98.61 -87.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.71 HD13 ' H ' ' J' ' 18' ' ' VAL . 0.1 OUTLIER -148.69 145.83 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.71 ' H ' HD13 ' J' ' 17' ' ' LEU . 16.2 m -151.65 150.54 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.755 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.524 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 2.9 m-85 -156.04 154.04 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.352 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.597 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.6 OUTLIER 174.48 -173.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 111.214 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.53 113.82 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.316 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -99.12 109.78 22.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.556 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -125.31 127.52 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.37 176.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.05 -100.51 2.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.2 m -139.72 118.36 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.609 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -94.51 174.39 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.616 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.618 ' H ' ' CD ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.73 145.4 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.62 105.91 2.88 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.999 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -167.48 -121.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 tt -145.73 144.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.064 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -148.43 146.87 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.4 148.84 20.47 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' J' ' 34' ' ' LEU . 6.0 mt -150.4 148.09 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.462 ' O ' HG13 ' J' ' 36' ' ' VAL . 0.0 OUTLIER -152.19 149.97 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.502 HG22 HG12 ' I' ' 36' ' ' VAL . 23.1 m -156.41 155.7 5.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.99 154.57 25.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.56 21.39 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -95.8 140.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.789 0.328 . . . . 0.0 110.548 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.551 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' ALA . 17.2 p-10 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' ASP . . . 54.7 167.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' OE1' ' P ' ' A' ' 101' ' ' 2PO . 37.5 mt-10 -77.64 119.3 20.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' GLU . 77.8 m-85 -55.01 -167.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 62.04 121.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -44.1 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.95 167.6 21.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 4.0 t -158.92 164.22 35.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.22 152.93 24.45 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -149.61 148.14 28.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -150.6 149.15 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.32 149.31 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.658 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -175.86 148.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.671 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 2.8 m80 -176.92 -172.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.588 ' NE2' ' NZ ' ' A' ' 16' ' ' LYS . 9.8 pt20 -114.45 -174.07 2.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' NZ ' ' NE2' ' A' ' 15' ' ' GLN . 56.5 mttp 43.28 -100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.46 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.734 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -147.47 146.11 29.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG21 ' CB ' ' A' ' 14' ' ' HIS . 79.0 t -148.91 147.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.578 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -148.42 146.96 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.713 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 39.5 m-85 -157.33 155.71 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.803 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.03 101.44 3.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -177.29 171.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 4.1 p30 -102.07 147.28 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.52 -93.02 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -135.17 156.75 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.652 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -111.84 124.21 51.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -94.05 -167.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.35 90.9 0.24 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.83 -168.45 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.48 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -146.07 144.73 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.076 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 pt -148.97 147.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.525 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.95 147.9 18.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.88 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -149.41 147.7 28.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.47 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.7 ttp -148.95 147.06 28.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 ' CZ ' ' A' ' 19' ' ' PHE . 1.1 m -148.14 147.37 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.55 149.68 21.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.53 152.74 24.32 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.24 128.69 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.575 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.92 175.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 45.5 44.27 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -46.55 -40.56 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' B' ' 6' ' ' HIS . 10.3 ptm180 -164.28 -118.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.695 ' H ' ' HE ' ' B' ' 5' ' ' ARG . 43.5 m-70 54.46 164.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' B' ' 8' ' ' SER . 3.7 m-20 -88.25 159.3 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.173 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.2 m -167.66 140.96 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.519 ' C ' ' CG ' ' B' ' 10' ' ' TYR . . . -158.17 156.59 27.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.519 ' CG ' ' C ' ' B' ' 9' ' ' GLY . 0.1 OUTLIER -154.33 154.45 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -152.72 150.31 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.516 ' CG2' ' HE2' ' C' ' 14' ' ' HIS . 10.7 m -116.76 137.1 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -150.18 107.8 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.77 ' CD2' ' H ' ' B' ' 15' ' ' GLN . 61.9 t60 -120.08 -173.8 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.77 ' H ' ' CD2' ' B' ' 14' ' ' HIS . 28.3 mt-30 -116.41 -92.81 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.77 ' O ' ' HB2' ' C' ' 16' ' ' LYS . 1.3 mptm? -51.95 -85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.17 143.61 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.257 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG ' ' B' ' 14' ' ' HIS . 0.4 OUTLIER -147.39 145.67 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.583 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -155.32 152.45 29.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.408 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.713 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER 171.95 -171.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.166 0.508 . . . . 0.0 111.306 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.55 115.52 18.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.226 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -91.62 134.01 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.4 t70 -151.87 113.46 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.29 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -178.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.628 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.93 -95.71 2.11 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -158.09 120.24 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.601 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.11 151.09 35.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.437 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.58 175.69 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.91 98.84 0.65 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -148.96 -158.32 0.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -145.46 144.94 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.172 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -147.35 145.47 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.39 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.61 152.7 24.23 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.794 HD23 ' N ' ' B' ' 34' ' ' LEU . 1.8 pt? -161.5 160.56 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.25 149.0 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' C' ' 36' ' ' VAL . 0.1 OUTLIER -147.49 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.49 150.18 22.06 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.79 150.02 21.85 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.82 145.88 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.508 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.94 -64.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -105.27 130.95 53.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -158.4 -46.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -67.91 -165.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.477 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -135.83 97.85 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -161.25 -15.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 19.1 p -82.09 142.38 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.69 148.21 19.29 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.475 ' H ' ' HD2' ' D' ' 10' ' ' TYR . 87.4 t80 -147.03 145.07 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.692 0.282 . . . . 0.0 110.37 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -152.41 150.9 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -126.65 139.61 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.665 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.514 ' C ' ' ND1' ' C' ' 13' ' ' HIS . 1.9 t-80 -167.93 120.29 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.489 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.554 ' ND1' ' N ' ' C' ' 14' ' ' HIS . 0.0 OUTLIER -141.5 -158.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.612 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' C' ' 16' ' ' LYS . 74.9 mt-30 -122.85 -166.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.77 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 8.7 mptt 35.33 -99.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.51 144.83 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' CE2' ' C' ' 20' ' ' PHE . 23.7 t -148.5 147.28 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.464 ' C ' ' CG ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER -155.73 152.71 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' D' ' 20' ' ' PHE . 0.0 OUTLIER 172.12 -170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.089 0.471 . . . . 0.0 111.227 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.55 121.97 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -95.19 112.95 24.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' D' ' 27' ' ' ASN . 13.1 t70 -139.88 109.71 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.66 178.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.01 -96.63 2.18 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -147.53 141.54 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 110.621 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' C' ' 28' ' ' LYS . 6.0 t-20 -94.54 172.7 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.531 ' H ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -118.15 168.86 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.63 100.82 2.5 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -157.53 -140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.597 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 mt -145.18 144.66 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.5 145.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.884 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.65 146.58 16.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.884 HD12 ' C ' ' C' ' 33' ' ' GLY . 6.0 mp -149.08 147.45 28.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' D' ' 35' ' ' MET . 18.0 ttt -147.9 146.11 28.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.564 HG12 ' O ' ' D' ' 36' ' ' VAL . 0.0 OUTLIER -150.17 149.61 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.89 149.44 21.16 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.43 148.06 18.85 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.83 159.68 36.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.709 0.29 . . . . 0.0 110.639 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.595 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' D' ' 3' ' ' GLU . . . -169.7 159.26 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.554 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' D' ' 2' ' ' ALA . 57.3 mm-40 49.27 100.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -155.6 -140.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 51.61 -112.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -175.28 -52.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.566 ' C ' ' H ' ' D' ' 9' ' ' GLY . 5.4 p-10 -103.6 92.37 4.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.706 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.171 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.7 OUTLIER -62.01 5.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.63 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.67 ' O ' ' CD2' ' D' ' 10' ' ' TYR . . . 64.84 69.61 1.29 Allowed Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.773 ' O ' ' CA ' ' E' ' 10' ' ' TYR . 19.2 m-85 -144.26 143.64 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.418 ' HB2' ' HE2' ' D' ' 13' ' ' HIS . 19.1 mt-10 -146.76 144.39 29.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.733 0.302 . . . . 0.0 110.352 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.795 ' HB ' ' H ' ' E' ' 12' ' ' VAL . 12.1 t -114.53 146.0 19.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.803 0.335 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.5 ' CG ' ' C ' ' D' ' 12' ' ' VAL . 0.4 OUTLIER -152.64 171.92 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.515 ' CG ' ' H ' ' D' ' 15' ' ' GLN . 6.0 t-80 -174.08 -172.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.515 ' H ' ' CG ' ' D' ' 14' ' ' HIS . 26.8 tt0 -127.61 -42.36 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.47 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 12.9 mptt -105.89 -85.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -146.8 144.46 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.189 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.46 147.45 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.655 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' D' ' 20' ' ' PHE . 10.5 t80 -152.73 149.36 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.201 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.758 ' HB2' ' O ' ' C' ' 20' ' ' PHE . 7.7 p90 175.07 -173.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.184 0.516 . . . . 0.0 111.333 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.46 121.69 36.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.308 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.435 ' OE1' ' OE1' ' E' ' 11' ' ' GLU . 11.1 mt-10 -95.24 111.87 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.577 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -135.99 110.75 8.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.703 HG12 ' H ' ' D' ' 25' ' ' GLY . 12.1 t -136.28 174.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.703 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 96.53 -85.76 0.87 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -148.82 112.4 5.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.735 0.302 . . . . 0.0 110.655 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' C' ' 23' ' ' ASP . 3.1 m-80 -89.48 168.34 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.523 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.1 OUTLIER -103.26 164.32 11.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.649 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.48 99.65 2.42 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.56 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.57 -123.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.614 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.407 HG21 HD13 ' D' ' 31' ' ' ILE . 6.1 mt -144.93 144.58 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.417 HD13 HG21 ' D' ' 32' ' ' ILE . 8.0 mt -147.44 145.93 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.403 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -152.24 149.55 21.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.403 HD12 ' C ' ' D' ' 33' ' ' GLY . 2.8 mp -149.91 149.2 30.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.535 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 35' ' ' MET . 7.6 ttt -147.39 145.45 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.564 ' O ' HG12 ' C' ' 36' ' ' VAL . 0.5 OUTLIER -149.06 148.27 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.5 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HA2' ' E' ' 37' ' ' GLY . . . -151.22 148.83 20.35 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.82 148.68 20.22 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.492 HG12 HG23 ' D' ' 40' ' ' VAL . 90.5 t -111.79 133.27 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.588 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.527 ' O ' HG12 ' D' ' 40' ' ' VAL . 84.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . 0.455 ' O ' HG21 ' E' ' 24' ' ' VAL . . . -162.83 15.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' E' ' 3' ' ' GLU . 10.2 mp0 -88.35 21.45 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -89.53 -104.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -146.02 53.65 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -127.62 62.94 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' E' ' 8' ' ' SER . 2.1 p-10 -92.87 -169.75 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.46 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 2.3 m -39.67 161.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 0.69 ' HA2' ' N ' ' D' ' 8' ' ' SER . . . -59.45 -68.98 1.42 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.773 ' CA ' ' O ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -163.42 163.36 24.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.079 0.466 . . . . 0.0 110.892 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.679 ' HA ' ' N ' ' D' ' 12' ' ' VAL . 1.1 pm0 -152.21 149.44 28.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.208 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.795 ' H ' ' HB ' ' D' ' 12' ' ' VAL . 3.0 t 78.17 123.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.749 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.408 ' H ' HE22 ' E' ' 15' ' ' GLN . 22.0 t-80 -130.15 -55.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.402 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.416 ' H ' HE22 ' E' ' 15' ' ' GLN . 59.0 t-80 -178.09 116.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.579 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.508 ' N ' ' CD ' ' E' ' 15' ' ' GLN . 0.2 OUTLIER -165.74 -165.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -67.26 -78.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 10.7 mt -147.44 145.52 29.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.308 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 m -148.67 147.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.674 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.631 ' C ' ' CG ' ' E' ' 20' ' ' PHE . 24.9 m-85 -151.34 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.093 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.677 ' HB3' ' H ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.91 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.181 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.99 104.58 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.323 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.4 mp0 -111.8 110.38 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -139.31 161.48 37.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.765 ' O ' ' N ' ' E' ' 26' ' ' SER . 3.7 p -63.08 162.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.571 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -43.07 76.41 0.0 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.765 ' N ' ' O ' ' E' ' 24' ' ' VAL . 8.4 t -95.2 161.59 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -140.08 109.85 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -92.99 -152.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.336 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.561 ' C ' ' H ' ' E' ' 31' ' ' ILE . . . -47.05 163.49 0.17 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.513 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -60.98 4.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' E' ' 29' ' ' GLY . 20.2 tt -151.31 147.58 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.475 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -146.88 146.57 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.273 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.12 153.85 25.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.72 153.03 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.502 ' O ' ' SD ' ' E' ' 35' ' ' MET . 0.0 OUTLIER -150.03 146.66 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.218 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.458 HG22 ' C ' ' E' ' 35' ' ' MET . 0.1 OUTLIER -156.49 156.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' D' ' 37' ' ' GLY . . . -155.25 153.97 25.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.82 150.51 22.41 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.448 ' O ' HG23 ' E' ' 39' ' ' VAL . 6.1 m -119.85 131.58 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.676 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.494 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.93 -179.02 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.533 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' F' ' 4' ' ' PHE . 21.0 mm-40 -62.62 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.541 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' F' ' 3' ' ' GLU . 79.4 m-85 -157.64 -175.73 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' F' ' 4' ' ' PHE . 26.5 ttm180 58.16 151.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' F' ' 7' ' ' ASP . 20.1 m-70 -81.04 168.53 18.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.652 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' F' ' 6' ' ' HIS . 4.8 t70 43.26 94.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 1.8 m -76.91 139.6 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.19 153.53 24.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' F' ' 24' ' ' VAL . 53.1 m-85 -150.34 148.51 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' F' ' 11' ' ' GLU . 1.0 OUTLIER -150.39 148.33 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.301 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.499 HG23 ' CE1' ' G' ' 14' ' ' HIS . 30.4 m -128.37 144.63 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' G' ' 13' ' ' HIS . 55.9 p-80 -175.57 -170.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.594 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.501 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 1.9 t60 74.09 -177.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.678 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.501 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 5.0 mm100 64.04 146.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 42.2 mtmt -71.28 -48.79 48.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 1.052 ' O ' HG13 ' F' ' 18' ' ' VAL . 1.8 pt? -149.51 146.22 27.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.932 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 1.052 HG13 ' O ' ' F' ' 17' ' ' LEU . 0.0 OUTLIER 171.41 -169.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.221 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.778 ' H ' ' HD1' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -152.11 152.26 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.184 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.779 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 62.9 m-85 -151.21 148.88 28.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.38 128.44 54.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.348 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.628 ' O ' ' O ' ' G' ' 23' ' ' ASP . 41.9 mm-40 -80.8 134.31 35.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.618 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -159.78 83.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.7 ' CG2' ' H ' ' G' ' 25' ' ' GLY . 33.3 m -93.14 179.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 -105.08 2.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -147.74 154.78 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.678 0.275 . . . . 0.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.737 ' H ' HD22 ' F' ' 27' ' ' ASN . 0.1 OUTLIER -88.25 125.79 34.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.423 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 1.5 mmtp -94.94 -173.12 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.66 78.45 1.18 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.488 ' HB2' ' H ' ' G' ' 30' ' ' ALA . . . -140.85 -166.02 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt -146.2 143.77 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.167 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.489 HG22 ' HB ' ' G' ' 32' ' ' ILE . 0.8 OUTLIER -146.09 145.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.553 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.521 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -151.7 148.78 20.2 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.872 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -153.35 152.76 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.022 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -152.46 149.51 28.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.178 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.627 ' N ' ' SD ' ' F' ' 35' ' ' MET . 1.3 m -151.91 152.41 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 71.96 0.81 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 0.607 ' H ' ' HA2' ' G' ' 37' ' ' GLY . . . -62.17 -71.9 0.74 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' ' O ' ' G' ' 38' ' ' GLY . 7.7 p -112.55 128.91 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.825 0.345 . . . . 0.0 110.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.547 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . 0.423 ' O ' ' CE1' ' G' ' 4' ' ' PHE . . . -157.53 164.54 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -73.57 136.98 44.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' G' ' 2' ' ' ALA . 84.0 m-85 -123.65 2.56 8.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.579 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' G' ' 5' ' ' ARG . 5.5 mpt_? -84.18 132.52 34.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -79.22 165.33 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 63.71 133.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.18 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 44.2 m -166.81 146.04 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.71 153.41 24.69 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.664 ' CD2' ' CD2' ' H' ' 10' ' ' TYR . 1.3 p90 -154.09 153.07 31.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.397 . . . . 0.0 110.622 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -150.21 149.84 30.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.38 142.52 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' G' ' 13' ' ' HIS . 42.8 p-80 -177.43 114.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.499 ' CE1' HG23 ' F' ' 12' ' ' VAL . 7.0 m80 -122.16 -139.96 0.32 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.637 ' O ' ' C ' ' G' ' 16' ' ' LYS . 60.1 mt-30 -134.13 -156.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' G' ' 15' ' ' GLN . 3.7 tptm 16.81 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.667 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' G' ' 15' ' ' GLN . 2.1 pp -146.32 144.05 29.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.232 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 ' ND1' ' G' ' 14' ' ' HIS . 9.9 p -148.67 147.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.622 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -156.95 154.68 30.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.503 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.823 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 27.8 p90 167.56 -165.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.48 . . . . 0.0 111.1 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.56 130.27 52.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 0.0 OUTLIER -96.16 110.23 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.506 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.628 ' O ' ' O ' ' F' ' 22' ' ' GLU . 42.3 t0 -135.28 103.27 5.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.94 177.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.7 ' H ' ' CG2' ' F' ' 24' ' ' VAL . . . 90.44 -100.97 2.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 135.66 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -74.07 -171.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -144.32 171.14 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.496 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 97.79 1.04 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -157.46 -152.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.659 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 57.0 mt -144.64 144.04 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.053 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.489 ' HB ' HG22 ' F' ' 32' ' ' ILE . 1.1 mt -148.82 145.94 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.482 ' O ' ' HG ' ' G' ' 34' ' ' LEU . . . -148.16 147.28 17.76 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.488 HD12 ' O ' ' F' ' 33' ' ' GLY . 4.2 mp -146.53 144.39 29.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.265 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.458 ' O ' HG23 ' G' ' 36' ' ' VAL . 1.3 tmt? -142.33 141.87 32.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' F' ' 35' ' ' MET . 77.2 t -155.56 152.24 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.913 0.387 . . . . 0.0 110.573 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.607 ' HA2' ' H ' ' F' ' 38' ' ' GLY . . . -155.26 155.49 26.28 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 0.517 ' O ' ' O ' ' F' ' 39' ' ' VAL . . . -146.02 144.91 13.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.01 122.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.626 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' G' ' 40' ' ' VAL . 97.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' H' ' 2' ' ' ALA . 73.2 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' H' ' 1' ' ' ASP . . . 54.7 167.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.82 118.49 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.71 137.17 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -68.69 -154.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' H' ' 7' ' ' ASP . 9.0 t-80 64.04 114.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . 0.76 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 11.5 m-20 56.27 117.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.624 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.193 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 13.4 t -178.08 131.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 0.965 ' HA2' ' H ' ' I' ' 9' ' ' GLY . . . -150.84 150.5 22.5 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' H' ' 9' ' ' GLY . 24.3 m-85 -146.35 144.23 29.63 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.4 pm0 -146.34 145.85 30.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.678 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.492 ' N ' ' HG3' ' I' ' 11' ' ' GLU . 24.9 t -115.47 140.05 38.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.975 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' H' ' 13' ' ' HIS . 0.0 OUTLIER -152.82 176.04 12.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.497 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 1.043 ' CG ' ' H ' ' H' ' 15' ' ' GLN . 31.5 t-80 -177.25 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 1.043 ' H ' ' CG ' ' H' ' 14' ' ' HIS . 41.2 tt0 -132.81 -103.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' G' ' 16' ' ' LYS . 2.8 tmtp? -51.2 -77.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' H' ' 14' ' ' HIS . 6.4 tt -145.51 143.89 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.308 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' H' ' 20' ' ' PHE . 4.7 p -147.34 145.76 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.532 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.473 ' C ' ' CG ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -154.99 151.86 28.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.823 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 167.99 -166.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.032 0.444 . . . . 0.0 111.115 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.99 129.12 54.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.84 112.22 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' G' ' 22' ' ' GLU . 46.4 t0 -136.58 101.59 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.681 ' H ' HG13 ' I' ' 24' ' ' VAL . 0.2 OUTLIER -105.21 -174.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' H' ' 24' ' ' VAL . . . 74.97 -99.56 1.16 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -143.73 158.97 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -110.01 -175.49 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -128.72 165.94 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.66 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.8 103.15 2.19 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.909 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -158.1 -140.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.768 0.318 . . . . 0.0 110.61 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.416 HG21 HD13 ' H' ' 31' ' ' ILE . 12.7 mt -145.09 144.58 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.166 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.93 146.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.511 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.79 ' O ' HD23 ' H' ' 34' ' ' LEU . . . -150.52 148.29 19.32 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.79 HD23 ' O ' ' H' ' 33' ' ' GLY . 5.3 mt -150.11 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.569 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.466 ' C ' ' CG1' ' H' ' 36' ' ' VAL . 1.8 mpt? -149.54 146.66 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.542 HG22 HG22 ' G' ' 36' ' ' VAL . 1.0 OUTLIER -154.23 153.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.742 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.2 152.08 23.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.47 148.67 20.11 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.1 120.83 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.509 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.85 -120.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -124.8 123.06 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' I' ' 4' ' ' PHE . 5.0 m-85 -125.7 141.83 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 57.68 -109.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.76 ' CG ' ' H ' ' H' ' 7' ' ' ASP . 50.8 m80 -63.77 130.08 42.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' I' ' 8' ' ' SER . 1.2 p30 171.26 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.553 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.164 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 1.4 m 39.59 81.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.382 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . 0.965 ' H ' ' HA2' ' H' ' 9' ' ' GLY . . . -65.21 -70.83 0.99 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 1.073 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.0 OUTLIER -147.42 144.01 28.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.79 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 35.4 tt0 -152.04 149.79 29.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.452 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.734 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 66.1 t 106.97 101.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.166 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.453 ' HA ' ' H ' ' J' ' 13' ' ' HIS . 0.8 OUTLIER -143.26 -86.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.873 ' HD1' ' HB3' ' H' ' 14' ' ' HIS . 66.9 t60 56.69 -166.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.833 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 42.5 tp60 -146.79 -69.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' H' ' 16' ' ' LYS . 7.6 mptt -69.69 -80.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.612 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.669 ' O ' ' NE2' ' I' ' 14' ' ' HIS . 0.4 OUTLIER -146.0 144.06 29.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.256 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' J' ' 18' ' ' VAL . 2.2 p -148.96 147.06 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 21.4 t80 -154.44 151.85 29.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.757 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 170.28 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.86 129.13 33.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.246 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.24 120.22 39.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.543 ' OD2' ' ND2' ' I' ' 27' ' ' ASN . 13.8 t0 -135.87 112.57 10.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.398 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.681 HG13 ' H ' ' H' ' 24' ' ' VAL . 1.1 t -143.13 -146.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.511 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 68.74 -78.16 0.27 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 46.7 p -153.64 106.3 2.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.543 ' ND2' ' OD2' ' I' ' 23' ' ' ASP . 10.9 m120 -92.85 161.31 14.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.511 ' O ' ' NZ ' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -117.96 164.89 14.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.61 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.24 107.9 2.44 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.909 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -155.12 -137.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mt -144.78 144.03 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.166 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.401 HD13 HG21 ' I' ' 32' ' ' ILE . 1.5 mt -147.02 145.15 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.332 . . . . 0.0 110.321 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.806 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.41 148.54 19.85 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.806 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.5 mp -153.26 151.53 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.83 149.61 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.252 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.539 HG12 HG22 ' J' ' 36' ' ' VAL . 6.8 m -152.34 151.7 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.625 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.39 151.77 23.49 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.66 147.99 18.84 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.25 123.27 55.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.428 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' J' ' 4' ' ' PHE . . . -78.11 78.15 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.98 20.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' J' ' 2' ' ' ALA . 41.7 m-85 -85.85 -33.17 21.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' J' ' 6' ' ' HIS . 3.8 mmp_? -76.88 -154.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' J' ' 5' ' ' ARG . 85.8 m-70 -158.11 -174.03 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . 0.634 ' N ' ' OD1' ' J' ' 7' ' ' ASP . 4.0 p-10 -159.11 -172.66 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 2.2 p 19.79 98.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . 0.556 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -60.82 -68.82 1.5 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 1.073 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.3 OUTLIER 164.37 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 110.683 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.984 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 17.1 tp10 164.0 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.59 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.984 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 85.4 t -42.02 -88.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.721 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' J' ' 12' ' ' VAL . 1.9 m-70 163.51 -83.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 p80 179.43 -176.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.578 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -139.03 -50.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' I' ' 16' ' ' LYS . 2.3 tptp -95.75 -80.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.503 ' O ' HD23 ' I' ' 17' ' ' LEU . 5.0 tp -151.14 147.82 27.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.613 HG12 HG12 ' I' ' 18' ' ' VAL . 30.3 m -151.53 151.09 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.652 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' I' ' 19' ' ' PHE . 2.0 m-85 -155.26 152.81 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.361 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 0.5 OUTLIER 174.01 -173.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.088 0.47 . . . . 0.0 111.119 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.2 114.19 26.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -111.75 102.13 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.538 ' O ' ' OD2' ' J' ' 7' ' ' ASP . 0.7 OUTLIER -139.06 142.34 38.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.132 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.737 ' O ' ' N ' ' J' ' 26' ' ' SER . 2.8 t -34.06 131.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.445 ' HA2' ' H ' ' I' ' 24' ' ' VAL . . . -47.75 74.83 0.0 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.737 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.1 OUTLIER -144.29 101.99 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 110.475 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -83.65 171.76 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 141.06 50.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.92 93.44 1.06 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.571 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -175.7 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 mt -146.56 145.96 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.21 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -147.93 146.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.827 0.346 . . . . 0.0 110.535 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.38 147.83 18.38 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mt -150.98 149.69 29.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -148.97 147.13 28.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.539 HG22 HG12 ' I' ' 36' ' ' VAL . 17.3 m -154.76 153.24 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.45 154.81 25.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.95 149.43 21.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.02 141.71 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.428 ' OXT' ' O ' ' I' ' 40' ' ' VAL . 39.6 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.173 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.171 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.18 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.193 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.164 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.81 81.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 22.9 tt0 -162.24 122.21 2.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.527 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 77.4 m-85 -158.06 -28.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' HIS . 15.3 mmt180 -89.19 -141.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.449 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 7' ' ' ASP . 19.7 t-160 -54.31 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.752 ' O ' ' O ' ' A' ' 8' ' ' SER . 27.1 t0 58.59 139.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.193 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.0 OUTLIER 21.34 -150.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.747 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.835 ' N ' ' OG ' ' A' ' 8' ' ' SER . . . 66.31 69.12 1.43 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CE2' ' CE1' ' B' ' 10' ' ' TYR . 17.7 t80 -139.88 136.76 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -144.24 144.97 31.76 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.295 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.043 HG21 ' HA ' ' B' ' 12' ' ' VAL . 30.3 m -115.9 68.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.655 ' CG ' ' H ' ' A' ' 14' ' ' HIS . 9.3 t60 36.66 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.113 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.655 ' H ' ' CG ' ' A' ' 13' ' ' HIS . 4.2 p80 -156.04 -165.98 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.757 ' H ' ' CE1' ' B' ' 14' ' ' HIS . 8.0 tp-100 -176.35 158.1 1.81 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.771 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 9.0 mmtm 42.78 30.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.449 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.771 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER 151.62 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.588 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.202 ' O ' HG11 ' B' ' 18' ' ' VAL . 12.9 p -171.75 169.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 111.772 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.0 ' CE2' ' O ' ' A' ' 34' ' ' LEU . 29.1 t80 155.58 -155.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.758 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 156.25 -151.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.505 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' B' ' 21' ' ' ALA . . . 146.14 134.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.744 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -144.77 172.74 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.725 ' OD2' ' N ' ' A' ' 27' ' ' ASN . 5.7 t0 -96.58 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.659 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 28.1 m -110.26 48.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.68 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 175.53 -87.21 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' CA ' ' B' ' 25' ' ' GLY . 23.2 t -171.42 95.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.848 ' HA ' ' HB ' ' C' ' 24' ' ' VAL . 0.1 OUTLIER -83.36 139.82 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.297 179.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.993 ' HZ1' ' N ' ' C' ' 5' ' ' ARG . 0.5 OUTLIER -133.04 -157.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.963 -179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.752 ' O ' ' CB ' ' A' ' 30' ' ' ALA . . . -30.21 114.88 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.161 ' O ' HD12 ' A' ' 31' ' ' ILE . . . 134.38 157.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 1.28 ' HA ' ' N ' ' C' ' 23' ' ' ASP . 1.1 mp -148.66 143.54 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.366 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.439 ' H ' ' C ' ' C' ' 22' ' ' GLU . 1.5 pp -160.34 161.82 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.574 ' CA ' ' HB2' ' B' ' 21' ' ' ALA . . . -154.37 154.94 25.86 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.719 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.037 ' HA ' ' HG ' ' B' ' 34' ' ' LEU . 0.4 OUTLIER -147.67 144.07 28.1 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 1.092 ' HB3' ' CD1' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -158.97 159.49 34.9 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.076 0.465 . . . . 0.0 111.957 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.94 140.78 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.284 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.704 ' O ' ' CA ' ' B' ' 37' ' ' GLY . . . 152.36 -149.15 20.77 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -166.27 163.57 36.96 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.766 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.773 ' HB ' ' H ' ' B' ' 40' ' ' VAL . 84.1 t -83.49 117.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.502 -0.349 . . . . 0.0 110.436 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 2.5 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' B' ' 1' ' ' ASP . . . 171.33 129.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 26' ' ' SER . 13.8 mm-40 -122.19 126.82 49.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.29 -149.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -159.41 -169.6 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.573 ' O ' ' O ' ' B' ' 7' ' ' ASP . 22.6 m80 53.52 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.671 ' C ' ' H ' ' A' ' 8' ' ' SER . 6.8 m-20 50.37 163.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.175 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 0.6 OUTLIER 171.61 -11.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.692 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.441 ' H ' ' HA ' ' A' ' 8' ' ' SER . . . -147.0 143.53 11.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.591 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 12.0 t80 -147.48 144.59 28.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.655 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.659 ' HB3' ' CD1' ' B' ' 20' ' ' PHE . 1.7 mt-10 -140.83 143.13 34.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 1.043 ' HA ' HG21 ' A' ' 12' ' ' VAL . 11.5 m -118.01 126.8 75.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.949 ' O ' ' O ' ' B' ' 12' ' ' VAL . 10.3 p-80 -27.32 -179.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.558 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 1.096 ' NE2' HG23 ' B' ' 18' ' ' VAL . 8.6 p80 -154.1 -137.37 0.07 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.374 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 17' ' ' LEU . 2.7 mt-30 171.53 171.86 0.09 Allowed 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.924 ' O ' ' HB2' ' B' ' 17' ' ' LEU . 3.7 mptp? 29.78 37.8 0.0 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.924 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 0.2 OUTLIER 151.15 -148.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.616 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 1.202 HG11 ' O ' ' A' ' 18' ' ' VAL . 8.9 p -177.15 176.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.682 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 1.581 ' CD1' ' HB2' ' C' ' 19' ' ' PHE . 1.0 OUTLIER 157.66 -156.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.118 -179.273 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 1.234 ' N ' ' HD2' ' B' ' 19' ' ' PHE . 8.6 m-30 146.59 -146.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.808 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 32' ' ' ILE . . . 172.73 -130.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.641 ' HB2' ' O ' ' B' ' 21' ' ' ALA . 1.5 mm-40 89.29 68.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.722 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 7.6 t0 -62.77 -143.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 1.153 ' O ' HG11 ' C' ' 24' ' ' VAL . 1.9 p -160.26 158.34 2.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.554 ' CA ' ' O ' ' A' ' 26' ' ' SER . . . -37.72 -19.28 0.01 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.653 ' N ' ' O ' ' B' ' 24' ' ' VAL . 35.6 m -98.08 88.83 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.543 ' HB3' HG13 ' C' ' 24' ' ' VAL . 2.4 t-20 -173.51 -156.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.514 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' B' ' 28' ' ' LYS . 1.6 mmtt -91.36 160.71 15.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.876 ' H ' ' HB3' ' C' ' 27' ' ' ASN . . . -99.61 78.65 0.49 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.688 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -179.44 -134.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.856 HG22 ' H ' ' C' ' 32' ' ' ILE . 0.8 OUTLIER -140.35 139.66 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 1.2 mt -152.1 147.69 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.329 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 1.277 ' O ' ' HG ' ' C' ' 34' ' ' LEU . . . -145.08 146.09 16.07 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 1.037 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -147.94 143.72 27.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 117.417 0.609 . . . . 0.0 110.442 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.818 ' N ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -146.26 148.03 32.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 0.4 OUTLIER -145.57 140.22 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.704 ' CA ' ' O ' ' A' ' 37' ' ' GLY . . . 153.17 -150.91 22.74 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.25 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.594 ' H ' ' HA2' ' A' ' 38' ' ' GLY . . . -156.84 156.11 26.91 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.439 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.824 ' N ' ' O ' ' C' ' 38' ' ' GLY . 26.3 t -103.44 115.81 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.351 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.773 ' H ' ' HB ' ' A' ' 39' ' ' VAL . 10.1 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.88 151.31 33.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.471 ' C ' ' CD1' ' C' ' 4' ' ' PHE . 24.6 mt-10 -147.05 88.17 1.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' C' ' 3' ' ' GLU . 43.7 m-85 -149.76 98.19 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.993 ' N ' ' HZ1' ' A' ' 28' ' ' LYS . 4.4 ttp85 -173.83 176.53 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.671 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.597 ' O ' ' NH1' ' C' ' 5' ' ' ARG . 12.9 p80 -126.57 146.57 50.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.638 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.524 ' OD1' ' CE2' ' C' ' 10' ' ' TYR . 4.5 t70 41.9 91.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.177 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 0.1 OUTLIER -120.11 23.92 10.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.579 ' C ' ' CD1' ' C' ' 10' ' ' TYR . . . -144.9 140.68 9.34 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.708 ' HB3' ' CG ' ' E' ' 10' ' ' TYR . 12.4 m-85 -147.7 145.37 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.571 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.795 ' HB2' ' CZ ' ' C' ' 20' ' ' PHE . 0.4 OUTLIER -142.98 144.67 32.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.198 179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.935 ' CA ' HG21 ' B' ' 12' ' ' VAL . 15.7 m -110.06 116.61 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.569 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.923 ' O ' ' O ' ' C' ' 12' ' ' VAL . 0.1 OUTLIER -26.57 174.78 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.522 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 1.239 ' CD2' HG23 ' C' ' 18' ' ' VAL . 0.0 OUTLIER -169.69 -165.59 0.51 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.721 ' O ' ' N ' ' C' ' 17' ' ' LEU . 17.1 mt-30 -152.14 -170.56 3.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.937 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 1.029 ' O ' ' HA ' ' D' ' 16' ' ' LYS . 44.6 mttp 26.44 32.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.974 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 1.061 ' HG ' ' HB3' ' D' ' 17' ' ' LEU . 2.1 mm? 138.09 -137.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 1.239 HG23 ' CD2' ' C' ' 14' ' ' HIS . 3.5 p 143.21 -141.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.22 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 1.581 ' HB2' ' CD1' ' B' ' 19' ' ' PHE . 0.1 OUTLIER 73.16 71.33 0.13 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 1.338 ' HA ' ' CD1' ' D' ' 20' ' ' PHE . 0.0 OUTLIER -67.02 -73.95 0.12 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.57 0.623 . . . . 0.0 110.706 179.01 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.864 ' O ' ' HB3' ' B' ' 21' ' ' ALA . . . 166.93 -138.82 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 1.439 ' C ' ' H ' ' A' ' 32' ' ' ILE . 3.3 mm-40 117.76 113.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.662 0.268 . . . . 0.0 110.682 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 1.28 ' N ' ' HA ' ' A' ' 31' ' ' ILE . 33.3 t0 -126.16 -133.9 0.25 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.994 0.426 . . . . 0.0 111.533 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 1.153 HG11 ' O ' ' B' ' 24' ' ' VAL . 0.7 OUTLIER -156.43 161.19 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.684 ' HA2' ' O ' ' A' ' 29' ' ' GLY . . . -99.98 86.58 0.68 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -167.19 62.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.876 ' HB3' ' H ' ' B' ' 29' ' ' GLY . 0.1 OUTLIER 170.68 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.542 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.614 ' C ' ' O ' ' B' ' 29' ' ' GLY . 10.3 ptmt -50.67 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.556 ' O ' ' NZ ' ' D' ' 28' ' ' LYS . . . -150.79 93.76 0.15 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' D' ' 27' ' ' ASN . . . -172.59 -147.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.687 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.781 ' O ' ' CB ' ' D' ' 32' ' ' ILE . 6.2 mt -138.08 138.92 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.577 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.856 ' H ' HG22 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -149.95 146.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 1.249 ' O ' ' HG ' ' D' ' 34' ' ' LEU . . . -151.92 152.2 23.98 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 1.277 ' HG ' ' O ' ' B' ' 33' ' ' GLY . 1.3 pt? -151.98 148.73 28.09 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 1.032 ' HG3' ' H ' ' D' ' 36' ' ' VAL . 0.1 OUTLIER -148.63 149.62 31.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.316 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.783 ' N ' ' O ' ' B' ' 35' ' ' MET . 0.5 OUTLIER -146.85 142.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.151 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.61 -145.08 13.58 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 0.937 ' HA2' ' O ' ' D' ' 38' ' ' GLY . . . 149.63 -146.55 15.94 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.168 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.779 ' H ' ' HA ' ' D' ' 39' ' ' VAL . 3.5 t -105.35 155.48 6.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.819 0.342 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.451 ' N ' ' CG1' ' C' ' 39' ' ' VAL . 3.4 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' D' ' 2' ' ' ALA . 36.6 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' D' ' 1' ' ' ASP . . . -46.86 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 59.71 51.04 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.452 ' CE2' ' HB1' ' D' ' 2' ' ' ALA . 41.8 p90 -139.8 -13.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.561 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -108.54 125.81 52.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.502 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.618 ' ND1' ' NH2' ' C' ' 5' ' ' ARG . 7.0 p-80 -43.94 112.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -152.6 34.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.632 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 3.0 t 175.26 -156.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.763 ' N ' ' OG ' ' D' ' 8' ' ' SER . . . 65.73 68.21 1.74 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 1.111 ' HB2' ' O ' ' E' ' 9' ' ' GLY . 0.1 OUTLIER -141.2 137.52 32.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.788 ' O ' ' CG1' ' C' ' 12' ' ' VAL . 2.5 mp0 -136.42 139.21 42.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 1.054 HG12 ' O ' ' E' ' 11' ' ' GLU . 2.4 m -105.43 105.74 19.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 111.876 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.933 ' H ' ' HA ' ' E' ' 12' ' ' VAL . 0.3 OUTLIER 32.11 -169.63 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.486 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 1.079 ' ND1' ' N ' ' D' ' 15' ' ' GLN . 0.0 OUTLIER 172.1 166.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 1.444 ' H ' ' CG1' ' D' ' 18' ' ' VAL . 19.3 mt-30 -156.55 -163.54 1.46 Allowed 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 1.105 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 7.8 tttt -2.55 47.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.586 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 1.164 ' O ' ' CA ' ' E' ' 17' ' ' LEU . 0.6 OUTLIER 59.93 66.02 1.04 Allowed 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 1.444 ' CG1' ' H ' ' D' ' 15' ' ' GLN . 1.3 m -63.71 -74.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 1.325 ' O ' ' CD1' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 167.04 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.909 -177.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 1.408 ' N ' ' H ' ' E' ' 20' ' ' PHE . 34.7 m-85 160.44 -161.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.431 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.982 ' O ' HG22 ' A' ' 31' ' ' ILE . . . 140.82 -78.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.449 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.814 ' HB2' ' O ' ' D' ' 21' ' ' ALA . 0.2 OUTLIER 88.78 179.39 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.854 ' CA ' HD13 ' B' ' 31' ' ' ILE . 6.4 t0 -126.69 158.84 35.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.927 0.394 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.616 HG12 ' N ' ' D' ' 27' ' ' ASN . 1.1 t -64.52 153.72 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.575 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.718 ' H ' ' CA ' ' A' ' 29' ' ' GLY . . . -44.78 -52.09 7.88 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 7.5 t -139.11 68.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.616 ' N ' HG12 ' D' ' 24' ' ' VAL . 0.0 OUTLIER -89.47 157.08 18.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.432 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.581 ' HD2' ' ND2' ' D' ' 27' ' ' ASN . 0.0 OUTLIER -74.37 174.94 8.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.447 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' E' ' 30' ' ' ALA . . . -62.61 89.9 0.06 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.707 ' N ' ' OD1' ' E' ' 27' ' ' ASN . . . -167.58 145.6 4.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.797 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.593 HG13 HD12 ' C' ' 31' ' ' ILE . 0.5 OUTLIER -143.23 143.66 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.952 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.781 ' CB ' ' O ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -149.38 145.74 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.197 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.702 ' O ' ' HG ' ' E' ' 34' ' ' LEU . . . -152.65 153.25 24.75 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.459 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 1.249 ' HG ' ' O ' ' C' ' 33' ' ' GLY . 0.4 OUTLIER -149.77 145.77 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 110.444 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.713 ' HG2' ' H ' ' E' ' 36' ' ' VAL . 0.1 OUTLIER -145.25 146.62 31.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 1.032 ' H ' ' HG3' ' C' ' 35' ' ' MET . 0.2 OUTLIER -146.25 141.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.558 ' O ' ' CA ' ' E' ' 37' ' ' GLY . . . 147.44 -145.58 14.4 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . 0.937 ' O ' ' HA2' ' C' ' 38' ' ' GLY . . . 145.56 -142.36 10.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.779 ' HA ' ' H ' ' C' ' 39' ' ' VAL . 2.0 m -138.68 129.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 110.435 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.574 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' E' ' 4' ' ' PHE . . . -99.28 -92.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.41 22.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' E' ' 2' ' ' ALA . 37.7 m-85 57.46 173.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.597 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' E' ' 6' ' ' HIS . 27.4 mtp85 -113.35 113.99 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.501 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' E' ' 5' ' ' ARG . 67.7 m-70 -160.67 144.13 13.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.04 111.65 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.587 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.6 OUTLIER -94.22 -150.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 1.111 ' O ' ' HB2' ' D' ' 10' ' ' TYR . . . 152.63 -150.76 22.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.925 ' HA ' ' HB2' ' D' ' 10' ' ' TYR . 0.3 OUTLIER -142.52 140.11 31.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 1.054 ' O ' HG12 ' D' ' 12' ' ' VAL . 39.0 mt-10 -143.22 141.91 31.24 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.102 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.933 ' HA ' ' H ' ' D' ' 13' ' ' HIS . 1.2 m -73.1 148.4 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.606 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.807 ' CG ' ' O ' ' E' ' 12' ' ' VAL . 0.3 OUTLIER 146.35 84.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.015 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.885 ' CG ' ' H ' ' F' ' 38' ' ' GLY . 7.6 m170 154.78 167.64 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.107 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.938 ' O ' ' N ' ' F' ' 36' ' ' VAL . 0.1 OUTLIER 165.58 137.67 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.863 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.94 ' H ' ' CB ' ' D' ' 18' ' ' VAL . 0.1 OUTLIER 168.89 25.59 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 1.353 ' H ' ' CA ' ' D' ' 18' ' ' VAL . 11.8 mt 146.0 -146.43 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 1.319 ' N ' ' HD1' ' D' ' 19' ' ' PHE . 0.0 OUTLIER -141.48 139.61 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 1.111 ' O ' ' CG ' ' E' ' 19' ' ' PHE . 0.0 OUTLIER 71.95 73.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.467 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 1.408 ' H ' ' N ' ' D' ' 20' ' ' PHE . 33.1 m-85 -64.36 -78.13 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 111.889 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.903 ' O ' ' HB2' ' E' ' 22' ' ' GLU . . . 155.56 -87.28 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.668 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.984 ' H ' HG21 ' G' ' 39' ' ' VAL . 0.0 OUTLIER 98.84 -177.87 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.976 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' E' ' 24' ' ' VAL . 9.6 t0 -140.01 154.76 47.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.839 HG13 ' N ' ' E' ' 25' ' ' GLY . 0.3 OUTLIER -85.7 -170.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.298 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.839 ' N ' HG13 ' E' ' 24' ' ' VAL . . . -36.09 -48.14 1.08 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.1 p -174.38 108.84 0.13 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.707 ' OD1' ' N ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -116.43 87.67 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.398 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -112.84 46.89 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' E' ' 30' ' ' ALA . . . 177.25 37.86 0.06 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' D' ' 29' ' ' GLY . . . 170.04 108.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.385 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.47 HD12 HD13 ' D' ' 31' ' ' ILE . 2.6 tp -143.73 144.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.21 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.593 HG13 ' O ' ' D' ' 31' ' ' ILE . 0.9 OUTLIER -149.41 144.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.57 161.7 32.87 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.874 ' HG ' ' HA ' ' D' ' 34' ' ' LEU . 1.2 pp -159.27 156.98 29.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.178 0.513 . . . . 0.0 111.125 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.694 ' N ' HD12 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -142.73 142.2 31.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.689 179.202 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.713 ' H ' ' HG2' ' D' ' 35' ' ' MET . 1.4 t -145.07 143.39 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.105 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.558 ' CA ' ' O ' ' D' ' 37' ' ' GLY . . . 143.91 -142.43 11.16 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . 0.486 ' O ' ' CA ' ' D' ' 38' ' ' GLY . . . 147.82 -146.33 15.89 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.264 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.593 HG11 ' O ' ' H' ' 33' ' ' GLY . 0.8 OUTLIER -148.49 155.13 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.742 0.306 . . . . 0.0 110.2 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.644 HG22 ' O ' ' E' ' 40' ' ' VAL . 5.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.24 -71.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.46 150.65 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' F' ' 4' ' ' PHE . 0.7 OUTLIER -91.13 -56.62 3.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . 0.494 ' NH2' ' OE1' ' F' ' 22' ' ' GLU . 60.2 mtp180 -54.82 179.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . 0.572 ' N ' ' ND1' ' F' ' 6' ' ' HIS . 2.3 p-80 -170.75 142.59 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -152.18 10.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.509 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 2.2 m -44.3 -44.94 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . 0.877 ' O ' ' HB2' ' F' ' 10' ' ' TYR . . . -149.16 149.67 21.69 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' G' ' 10' ' ' TYR . 35.6 t80 142.26 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.625 ' N ' ' CG ' ' F' ' 10' ' ' TYR . 85.9 mt-10 -144.28 140.68 29.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.755 ' H ' ' H ' ' G' ' 12' ' ' VAL . 18.2 t -113.48 100.23 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.57 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -150.74 174.15 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.747 -179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -176.94 -130.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.523 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' F' ' 17' ' ' LEU . 36.5 mm-40 -131.19 170.39 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' G' ' 16' ' ' LYS . 48.8 mttm 42.39 -85.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.502 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' F' ' 15' ' ' GLN . 0.3 OUTLIER -143.49 141.63 30.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.855 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 1.092 ' N ' HG11 ' G' ' 18' ' ' VAL . 1.6 p -149.29 146.49 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' F' ' 19' ' ' PHE . 0.1 OUTLIER -152.62 152.69 32.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.393 . . . . 0.0 110.847 -179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -151.26 147.34 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.231 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' G' ' 21' ' ' ALA . . . -171.5 127.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.682 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.542 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 50.7 tt0 173.29 162.76 0.14 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.521 ' N ' ' CG ' ' F' ' 22' ' ' GLU . 9.4 t70 -78.13 123.55 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' G' ' 23' ' ' ASP . 0.5 OUTLIER -101.55 108.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.31 -75.49 0.35 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.483 ' O ' ' OD2' ' F' ' 23' ' ' ASP . 68.7 m -148.77 118.71 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -90.56 147.2 23.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -121.04 -168.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.88 95.21 0.1 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -155.95 -175.28 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.449 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -144.46 142.41 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 pt -151.71 150.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.031 0.444 . . . . 0.0 111.085 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.89 143.48 11.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.902 HD23 ' H ' ' F' ' 34' ' ' LEU . 1.4 pt? -145.05 142.58 29.86 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.718 -0.283 . . . . 0.0 110.32 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.819 ' HG3' ' C ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.33 156.36 30.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 111.422 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.938 ' N ' ' O ' ' E' ' 15' ' ' GLN . 1.6 m -148.39 147.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.019 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' G' ' 37' ' ' GLY . . . 148.03 -145.98 15.12 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 1.105 ' HA3' ' O ' ' G' ' 38' ' ' GLY . . . 155.47 -154.07 25.25 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' E' ' 20' ' ' PHE . 8.4 m -137.2 159.1 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.804 ' N ' ' OH ' ' D' ' 10' ' ' TYR . 2.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.589 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.42 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -45.01 127.34 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -97.75 -51.53 4.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . 0.43 ' C ' ' CG ' ' G' ' 6' ' ' HIS . 12.3 mmm180 -72.71 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . 0.43 ' CG ' ' C ' ' G' ' 5' ' ' ARG . 2.5 p80 173.59 97.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -143.9 -70.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 1.4 m 56.65 30.23 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -61.6 -70.99 0.87 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 1.095 ' O ' ' O ' ' F' ' 10' ' ' TYR . 0.0 OUTLIER -171.99 173.1 4.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 111.22 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' H' ' 11' ' ' GLU . 2.1 pt-20 -151.84 150.88 30.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.456 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.822 ' O ' ' HA ' ' H' ' 12' ' ' VAL . 2.7 t 75.03 110.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' H' ' 13' ' ' HIS . 1.5 t60 -136.4 -113.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' G' ' 15' ' ' GLN . 31.0 t-80 -74.62 155.44 37.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' G' ' 14' ' ' HIS . 0.0 OUTLIER 156.96 140.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.498 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.746 ' NZ ' HE21 ' H' ' 15' ' ' GLN . 5.8 tptp -62.42 -66.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.608 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 1.185 ' O ' HG13 ' G' ' 18' ' ' VAL . 2.1 pp -150.66 147.04 26.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.211 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 1.185 HG13 ' O ' ' G' ' 17' ' ' LEU . 0.2 OUTLIER 163.62 -160.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.985 0.421 . . . . 0.0 111.038 179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.775 ' C ' ' CD2' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -154.93 154.81 33.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.938 -179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 1.02 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 0.0 OUTLIER -147.69 143.8 27.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' F' ' 21' ' ' ALA . . . -165.48 139.72 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.548 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.542 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.1 OUTLIER 173.98 142.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.716 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.561 ' CG ' HD22 ' H' ' 27' ' ' ASN . 1.6 m-20 -81.34 139.18 35.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.744 HG21 ' O1P' ' H' ' 101' ' ' 2PO . 5.1 m -94.07 95.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' F' ' 24' ' ' VAL . . . 146.12 -84.11 0.19 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . 0.561 ' O ' ' O ' ' H' ' 25' ' ' GLY . 73.0 m -146.43 178.2 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.788 0.328 . . . . 0.0 110.575 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.421 ' OD1' ' OD2' ' F' ' 23' ' ' ASP . 16.1 p-10 -146.72 169.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.673 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -110.6 178.6 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.482 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 102.81 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.801 ' O ' ' HB1' ' F' ' 30' ' ' ALA . . . -153.03 -156.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' H' ' 32' ' ' ILE . 69.7 mt -144.13 142.86 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.852 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' H' ' 32' ' ' ILE . 10.0 mt -145.46 144.06 21.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.549 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 1.084 ' C ' HD13 ' G' ' 34' ' ' LEU . . . -148.88 144.66 12.44 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 1.084 HD13 ' C ' ' G' ' 33' ' ' GLY . 0.0 OUTLIER -148.46 149.32 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.754 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.756 ' SD ' ' HG ' ' E' ' 17' ' ' LEU . 5.6 mtt -152.81 149.66 28.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.971 ' HA ' ' O ' ' H' ' 36' ' ' VAL . 25.4 m -155.5 155.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.474 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 1.243 ' O ' ' O ' ' F' ' 37' ' ' GLY . . . 66.94 72.13 0.82 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 1.105 ' O ' ' HA3' ' F' ' 38' ' ' GLY . . . -64.93 -74.17 0.51 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.734 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.984 HG21 ' H ' ' E' ' 22' ' ' GLU . 0.3 OUTLIER -149.84 138.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.66 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.556 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.95 -173.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' H' ' 5' ' ' ARG . 33.8 mt-10 -84.26 150.19 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -72.22 45.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' H' ' 6' ' ' HIS . 48.1 mtp85 55.45 95.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' H' ' 5' ' ' ARG . 95.0 m-70 -158.85 170.22 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.669 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.26 -179.54 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 33.5 t -64.85 -75.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 0.793 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . 64.28 70.71 1.0 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.702 ' CD1' ' OG ' ' H' ' 8' ' ' SER . 0.5 OUTLIER -158.02 155.86 30.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 110.894 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 0.851 ' O ' ' O ' ' G' ' 11' ' ' GLU . 13.8 tt0 -148.73 149.78 32.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.822 ' HA ' ' O ' ' G' ' 12' ' ' VAL . 5.4 m -125.06 167.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.782 ' CD2' ' H ' ' H' ' 14' ' ' HIS . 18.6 t-160 -169.98 163.54 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.782 ' H ' ' CD2' ' H' ' 13' ' ' HIS . 0.5 OUTLIER -165.05 -164.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.678 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.766 ' N ' ' CG ' ' H' ' 14' ' ' HIS . 0.2 OUTLIER -134.39 -81.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.576 ' C ' ' HE2' ' H' ' 14' ' ' HIS . 22.1 mttp -59.53 -81.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.745 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tt -143.81 142.5 30.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' CG ' ' H' ' 14' ' ' HIS . 1.0 OUTLIER -151.23 148.04 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.612 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' I' ' 19' ' ' PHE . 0.9 OUTLIER -157.49 156.83 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 1.108 ' O ' ' HB2' ' I' ' 20' ' ' PHE . 47.9 p90 168.71 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.92 138.6 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -131.65 124.33 29.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.762 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 3.2 p30 -140.03 146.77 39.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.643 HG11 ' C ' ' I' ' 25' ' ' GLY . 2.8 p -34.29 161.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.565 ' N ' HG22 ' H' ' 24' ' ' VAL . . . -48.46 -5.94 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.599 ' H ' ' C ' ' H' ' 24' ' ' VAL . 4.7 t -87.75 110.73 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.606 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.561 HD22 ' CG ' ' G' ' 23' ' ' ASP . 11.1 t-20 -98.04 -178.38 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -108.46 143.58 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.544 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 85.8 1.12 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 1.032 ' HB3' ' O ' ' I' ' 30' ' ' ALA . . . -167.33 -118.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.583 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 73.0 mt -146.44 144.96 20.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' G' ' 32' ' ' ILE . 1.4 mt -146.88 145.4 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.372 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.854 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -150.0 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.854 HD12 ' C ' ' H' ' 33' ' ' GLY . 4.7 mp -147.58 145.47 29.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.346 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.819 ' HB2' HD11 ' E' ' 17' ' ' LEU . 8.3 ptt? -144.97 143.22 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.003 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.971 ' O ' ' HA ' ' G' ' 36' ' ' VAL . 1.4 t -164.78 163.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 111.228 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' I' ' 37' ' ' GLY . . . 155.18 -156.54 27.01 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' I' ' 38' ' ' GLY . . . -148.36 145.01 13.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.944 ' H ' ' HA ' ' I' ' 39' ' ' VAL . 16.4 t -114.61 122.31 68.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.46 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.603 ' H ' HG22 ' G' ' 39' ' ' VAL . 2.2 t . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.554 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' H' ' 5' ' ' ARG . 31.6 m-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.17 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.65 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -137.1 -63.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' I' ' 5' ' ' ARG . 57.5 t80 58.49 177.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' I' ' 4' ' ' PHE . 22.9 ttt180 70.63 146.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.546 ' N ' ' CD2' ' I' ' 6' ' ' HIS . 2.4 m170 -84.35 -143.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.561 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' I' ' 8' ' ' SER . 81.0 m-20 55.08 -113.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.194 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 7.6 t 58.04 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 143.03 11.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.907 ' O ' ' C ' ' J' ' 10' ' ' TYR . 6.2 t80 -147.58 146.66 29.48 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.693 ' N ' ' CD1' ' I' ' 10' ' ' TYR . 65.8 mt-10 -148.72 145.83 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' J' ' 12' ' ' VAL . 74.8 t -111.37 115.25 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.363 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' H' ' 11' ' ' GLU . 2.2 m-70 -94.43 163.73 13.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.52 ' CD2' ' CG1' ' J' ' 18' ' ' VAL . 18.2 p-80 -166.41 -178.05 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -143.25 -53.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -99.96 -75.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 tp -145.75 143.64 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.7 145.8 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.691 ' O ' ' HB2' ' H' ' 19' ' ' PHE . 15.4 t80 -157.54 155.56 30.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 1.108 ' HB2' ' O ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 160.4 -158.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 179.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.81 124.74 28.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -107.13 96.57 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.762 ' O ' ' HA ' ' H' ' 23' ' ' ASP . 38.0 t70 -115.64 124.03 49.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.221 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.518 ' O ' ' CA ' ' J' ' 25' ' ' GLY . 2.2 t -136.44 165.98 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.695 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.643 ' C ' HG11 ' H' ' 24' ' ' VAL . . . 104.79 -59.74 0.44 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.478 ' O ' ' O ' ' J' ' 25' ' ' GLY . 0.2 OUTLIER -169.89 141.47 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.481 ' ND2' ' CG ' ' H' ' 23' ' ' ASP . 34.0 m-20 -117.63 158.64 24.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 162.08 17.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.519 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.31 105.59 1.68 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 1.032 ' O ' ' HB3' ' H' ' 30' ' ' ALA . . . -156.9 -145.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG23 ' J' ' 31' ' ' ILE . 84.5 mt -145.24 146.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.086 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.426 HD12 ' HZ3' ' H' ' 28' ' ' LYS . 4.1 mt -147.07 144.84 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.955 ' C ' HD23 ' I' ' 34' ' ' LEU . . . -152.07 149.67 21.4 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.955 HD23 ' C ' ' I' ' 33' ' ' GLY . 0.1 OUTLIER -157.19 156.0 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 111.159 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.637 ' SD ' ' SD ' ' E' ' 35' ' ' MET . 1.7 ttt -148.68 146.2 28.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.622 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.885 ' H ' ' CG2' ' H' ' 36' ' ' VAL . 0.5 OUTLIER -155.04 155.98 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 111.386 -179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 1.152 ' O ' ' O ' ' H' ' 37' ' ' GLY . . . 63.5 69.93 1.19 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . 0.533 ' O ' ' HA2' ' H' ' 38' ' ' GLY . . . -62.3 -73.05 0.56 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.751 -0.539 . . . . 0.0 111.751 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.944 ' HA ' ' H ' ' H' ' 39' ' ' VAL . 0.7 OUTLIER -128.53 161.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.648 ' HA ' ' H ' ' J' ' 40' ' ' VAL . 32.2 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.23 52.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.658 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' J' ' 5' ' ' ARG . 4.9 mm-40 -104.66 30.78 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -42.74 97.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' J' ' 3' ' ' GLU . 79.3 mtt85 49.52 -177.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.05 178.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' J' ' 8' ' ' SER . 7.5 p-10 -141.69 -114.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.606 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.3 OUTLIER -36.56 108.73 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' J' ' 10' ' ' TYR . . . -58.76 -68.27 1.77 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.907 ' C ' ' O ' ' I' ' 10' ' ' TYR . 3.6 m-85 -161.18 161.9 31.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' I' ' 11' ' ' GLU . 1.2 pm0 -154.65 152.03 29.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.781 ' H ' ' H ' ' I' ' 12' ' ' VAL . 14.7 t 77.1 134.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.58 ' O ' ' CB ' ' J' ' 14' ' ' HIS . 1.9 t60 -113.03 -73.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.466 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' J' ' 13' ' ' HIS . 2.2 t-80 155.13 124.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.568 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -172.57 -135.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.695 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -50.6 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -149.66 146.96 27.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.465 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.52 ' CG1' ' CD2' ' I' ' 14' ' ' HIS . 34.2 m -150.66 149.66 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.666 ' C ' ' CG ' ' J' ' 20' ' ' PHE . 7.2 m-85 -152.46 149.77 28.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.666 ' CG ' ' C ' ' J' ' 19' ' ' PHE . 0.1 OUTLIER 169.48 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.38 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' J' ' 22' ' ' GLU . 1.2 mp0 -125.61 110.63 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.716 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -130.12 162.96 27.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.399 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.625 ' C ' ' H ' ' J' ' 26' ' ' SER . 2.2 p -44.13 160.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.697 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.523 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -53.96 1.01 0.04 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.625 ' H ' ' C ' ' J' ' 24' ' ' VAL . 1.6 t -83.47 96.91 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.822 0.344 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.543 HD21 ' CG ' ' I' ' 23' ' ' ASP . 3.4 m-80 -109.8 177.33 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.551 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -99.24 127.34 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.91 95.17 1.8 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.435 ' H ' ' CB ' ' I' ' 30' ' ' ALA . . . -169.31 -106.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.51 HG23 ' HB ' ' I' ' 31' ' ' ILE . 9.2 mt -147.09 147.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -149.76 146.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.262 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.4 22.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' I' ' 34' ' ' LEU . 2.5 mt -151.18 147.86 27.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 1.03 ' O ' HG13 ' J' ' 36' ' ' VAL . 4.6 ptm -151.95 149.68 29.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 1.03 HG13 ' O ' ' J' ' 35' ' ' MET . 0.0 OUTLIER 169.64 -166.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.308 0.575 . . . . 0.0 111.106 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 1.082 ' HA2' ' H ' ' I' ' 37' ' ' GLY . . . 153.94 -154.18 25.33 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . 0.653 ' O ' ' O ' ' I' ' 39' ' ' VAL . . . -151.98 150.21 22.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.605 ' O ' HG23 ' J' ' 39' ' ' VAL . 5.1 m -107.59 120.71 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.609 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.648 ' H ' ' HA ' ' I' ' 40' ' ' VAL . 2.3 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.193 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.175 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.177 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.194 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.94 158.48 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.32 95.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -88.82 12.11 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -94.59 166.76 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.469 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 6' ' ' HIS . 24.6 m170 -72.33 -122.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.63 143.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.188 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 30.2 t -69.67 -44.08 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.59 68.79 1.51 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -151.97 149.77 29.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.68 150.41 31.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' B' ' 13' ' ' HIS . 3.5 t -113.1 148.02 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -173.92 153.7 2.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.667 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 7.5 t-80 -172.86 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 38.2 mt-30 -145.77 -175.88 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 41.6 mtpt 42.77 -98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -145.55 143.99 30.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.112 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG21 ' CB ' ' A' ' 14' ' ' HIS . 72.0 t -148.53 146.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.625 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.663 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -147.69 146.39 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.836 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 38.0 m-85 -156.12 154.19 30.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.763 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' B' ' 34' ' ' LEU . . . -149.47 101.38 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.443 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.42 173.31 1.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.626 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.569 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 3.2 p30 -98.46 140.45 32.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.23 111.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.46 -80.55 0.27 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.3 p -139.62 130.47 26.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.626 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -105.76 130.65 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -97.89 -166.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.01 92.55 0.25 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.39 -169.86 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 mt -145.94 144.81 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.298 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.1 pp -148.4 146.9 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.53 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.89 147.7 18.22 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -148.3 146.79 28.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.591 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.0 ttt -149.47 146.41 27.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.22 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG12 HG22 ' B' ' 36' ' ' VAL . 9.0 m -150.81 151.26 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 148.25 19.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.05 149.9 21.78 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.07 149.45 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.447 ' O ' ' CE1' ' B' ' 4' ' ' PHE . . . -159.12 -174.73 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.576 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.3 -30.71 15.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' B' ' 2' ' ' ALA . 14.7 m-85 58.52 -161.44 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER 44.14 -169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.487 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.517 ' HD1' ' C ' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -127.14 171.19 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' B' ' 6' ' ' HIS . 10.9 t70 59.63 126.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 50.0 m -92.11 -29.93 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.32 68.46 1.65 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.446 ' O ' ' OE2' ' C' ' 11' ' ' GLU . 4.6 t80 -146.98 145.53 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' B' ' 11' ' ' GLU . 0.0 OUTLIER -154.81 152.42 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 22.3 m -122.94 133.1 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' C' ' 13' ' ' HIS . 79.5 t60 -164.1 131.19 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.575 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 0.0 OUTLIER -148.24 -153.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -129.16 170.63 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 1.9 mptp? 56.5 -99.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.37 144.5 29.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.332 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' B' ' 14' ' ' HIS . 58.2 t -151.12 149.5 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -158.8 156.27 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.836 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER 169.62 -169.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.281 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.16 114.42 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.108 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -90.01 134.98 33.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.569 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 65.0 t0 -150.69 111.97 4.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.165 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -178.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.12 -87.4 1.35 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.8 p -159.3 114.83 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.302 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -79.71 152.34 29.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.41 174.75 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.458 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.2 94.59 0.55 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' C' ' 30' ' ' ALA . . . -143.84 -158.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.654 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 mt -145.25 144.49 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.211 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.89 145.67 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.4 153.3 24.71 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.788 HD23 ' N ' ' B' ' 34' ' ' LEU . 2.0 pt? -158.54 157.11 31.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.965 0.412 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 35' ' ' MET . 0.0 OUTLIER -150.91 148.92 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.267 179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.624 HG22 HG12 ' A' ' 36' ' ' VAL . 32.5 m -151.24 151.16 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.662 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.95 149.97 21.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.03 148.66 20.16 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.86 143.18 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.559 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.82 133.86 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -60.65 121.94 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -81.03 -61.51 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.56 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 mmt-85 -64.76 -167.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -120.91 -166.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.482 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 t70 61.63 93.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 1.3 m -74.19 -33.54 63.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.44 68.55 1.62 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.455 ' OH ' ' OE1' ' C' ' 22' ' ' GLU . 36.5 t80 -146.78 144.97 29.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 0.0 110.323 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.446 ' OE2' ' O ' ' B' ' 10' ' ' TYR . 1.5 pm0 -152.84 151.13 30.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.379 . . . . 0.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.84 149.21 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.662 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 15.8 t60 -158.3 161.28 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.781 ' CG ' ' H ' ' C' ' 15' ' ' GLN . 75.5 t60 -173.56 -170.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.653 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.781 ' H ' ' CG ' ' C' ' 14' ' ' HIS . 24.2 mt-30 -116.36 -97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' B' ' 16' ' ' LYS . 3.1 tmtp? -47.76 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tt -147.89 146.09 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.343 . . . . 0.0 110.541 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.474 ' HB ' ' CG ' ' C' ' 14' ' ' HIS . 1.7 p -148.21 146.54 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.492 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.499 ' CD2' ' C ' ' C' ' 19' ' ' PHE . 0.1 OUTLIER -156.19 153.33 29.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.7 ' H ' ' HB3' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 170.43 -169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.44 . . . . 0.0 111.232 179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.04 123.34 41.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CE2' ' C' ' 20' ' ' PHE . 64.2 mm-40 -94.77 117.23 29.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.571 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' D' ' 23' ' ' ASP . 10.8 t70 -141.1 108.45 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.725 HG12 ' H ' ' C' ' 25' ' ' GLY . 2.9 t -122.86 176.15 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.529 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.725 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 92.58 -96.21 2.11 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -147.62 119.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.592 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' C' ' 28' ' ' LYS . 36.8 t30 -80.96 173.61 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -120.64 167.62 12.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.511 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.03 96.96 1.84 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.765 ' C ' HD12 ' C' ' 31' ' ' ILE . . . -152.17 -141.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.765 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -145.19 144.67 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.157 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -146.12 144.49 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.856 ' C ' HD12 ' C' ' 34' ' ' LEU . . . -148.35 146.06 15.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.856 HD12 ' C ' ' C' ' 33' ' ' GLY . 5.7 mp -149.75 148.37 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.752 0.31 . . . . 0.0 110.705 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' C' ' 35' ' ' MET . 0.0 OUTLIER -149.65 147.06 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.605 HG12 HG22 ' D' ' 36' ' ' VAL . 27.6 m -153.12 153.13 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.17 151.38 23.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.0 148.36 19.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.53 HG23 ' O ' ' C' ' 39' ' ' VAL . 6.1 m -120.12 125.1 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' C' ' 39' ' ' VAL . 29.2 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 48.2 t0 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.21 -83.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' D' ' 4' ' ' PHE . 31.4 mt-10 -128.09 9.28 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' D' ' 6' ' ' HIS . 86.7 m-85 48.17 -177.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -75.57 18.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' D' ' 4' ' ' PHE . 28.3 m170 -83.46 179.76 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -87.86 146.04 25.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 45.6 m -87.98 -22.05 24.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.97 67.92 1.88 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.465 ' CZ ' ' OE1' ' D' ' 22' ' ' GLU . 59.7 t80 -146.33 144.65 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -150.44 149.22 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.765 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -107.97 137.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' D' ' 14' ' ' HIS . 34.6 t-80 -148.22 168.23 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.6 ' N ' ' CG ' ' D' ' 13' ' ' HIS . 30.2 p-80 -174.78 -138.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' D' ' 14' ' ' HIS . 11.9 tt0 -148.87 -66.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' E' ' 16' ' ' LYS . 11.8 tptt -87.67 -75.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.72 143.88 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.182 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' D' ' 20' ' ' PHE . 2.8 p -147.54 145.68 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.636 ' CD2' HG21 ' E' ' 36' ' ' VAL . 59.1 t80 -155.11 152.61 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.711 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.7 ' HB3' ' H ' ' C' ' 20' ' ' PHE . 0.1 OUTLIER 172.16 -171.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.018 0.437 . . . . 0.0 111.28 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.45 127.67 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' D' ' 10' ' ' TYR . 74.2 mm-40 -97.17 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.702 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 33.9 t0 -133.4 105.47 6.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.383 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.787 HG12 ' H ' ' D' ' 25' ' ' GLY . 3.9 t -141.76 178.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.787 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 92.15 -86.61 1.24 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -144.59 109.4 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.626 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.445 ' N ' HD22 ' D' ' 27' ' ' ASN . 1.4 m-80 -94.2 171.26 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -114.24 163.74 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.9 102.99 2.81 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' E' ' 30' ' ' ALA . . . -157.16 -129.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.814 ' O ' HD13 ' D' ' 32' ' ' ILE . 9.1 tt -145.1 144.03 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.217 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.814 HD13 ' O ' ' D' ' 31' ' ' ILE . 6.3 mm -146.35 145.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.315 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.73 147.31 17.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mp -150.23 148.43 28.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.707 0.289 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.414 ' O ' ' HA ' ' E' ' 35' ' ' MET . 4.1 ppp? -150.19 148.11 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.482 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.623 HG12 HG22 ' E' ' 36' ' ' VAL . 34.2 m -153.74 153.22 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.547 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.25 153.15 24.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.41 149.97 21.83 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.85 154.43 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.97 63.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.564 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 44.98 87.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -67.69 -80.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -172.82 89.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.501 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -150.58 -85.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' E' ' 9' ' ' GLY . 56.0 t0 -160.45 124.23 3.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.192 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.0 OUTLIER -70.44 11.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' E' ' 7' ' ' ASP . . . 62.99 65.92 2.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.536 ' CE1' ' OE1' ' E' ' 22' ' ' GLU . 42.8 p90 -147.88 146.47 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 110.333 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -151.21 150.09 30.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -110.29 149.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.649 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.27 -178.97 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.57 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 0.0 OUTLIER -89.14 -86.99 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.57 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 18.3 mm100 58.4 -142.83 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' D' ' 16' ' ' LYS . 5.9 mmmt -84.47 -79.54 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -148.51 146.35 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.539 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 1.6 p -149.14 147.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 5.4 m-85 -153.65 151.45 29.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.206 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.708 ' HD1' ' N ' ' E' ' 20' ' ' PHE . 0.0 OUTLIER -179.07 179.35 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.128 0.49 . . . . 0.0 111.356 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.81 119.57 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.358 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.536 ' OE1' ' CE1' ' E' ' 10' ' ' TYR . 74.3 mt-10 -92.02 113.46 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -136.21 108.87 7.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.353 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 24' ' ' VAL . 0.2 OUTLIER -166.75 156.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' E' ' 24' ' ' VAL . . . 85.17 -34.98 3.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -143.13 105.43 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.429 ' N ' ' ND2' ' E' ' 27' ' ' ASN . 0.6 OUTLIER -137.3 172.86 12.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.4 151.87 51.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.93 99.06 2.18 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -156.76 -116.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.553 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.801 ' O ' HD13 ' E' ' 32' ' ' ILE . 3.2 pt -145.31 144.62 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.801 HD13 ' O ' ' E' ' 31' ' ' ILE . 6.5 mm -146.0 144.47 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.15 149.52 21.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -150.6 148.41 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.384 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.45 ' O ' HG13 ' E' ' 36' ' ' VAL . 12.3 ptm -151.69 149.44 29.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.636 HG21 ' CD2' ' D' ' 19' ' ' PHE . 29.4 m -156.6 156.06 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.76 153.33 24.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.55 19.85 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 m -115.81 154.8 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.571 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' F' ' 3' ' ' GLU . . . -136.77 -151.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . 0.702 ' H ' ' H ' ' G' ' 3' ' ' GLU . 40.6 mm-40 53.36 106.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' F' ' 3' ' ' GLU . 42.3 m-85 -161.31 -92.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.604 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -76.4 -159.16 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' F' ' 6' ' ' HIS . 0.0 OUTLIER -82.15 154.11 25.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.619 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . 0.551 ' H ' ' HA2' ' G' ' 25' ' ' GLY . 0.1 OUTLIER 166.43 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.5 OUTLIER -86.06 -101.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.447 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . 0.984 ' N ' ' HA ' ' G' ' 8' ' ' SER . . . 63.28 71.2 0.87 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.43 ' H ' ' H ' ' G' ' 10' ' ' TYR . 1.0 OUTLIER -163.81 161.57 23.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.255 0.55 . . . . 0.0 111.458 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.9 pm0 -147.24 145.65 29.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.578 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.989 ' HB ' ' H ' ' G' ' 13' ' ' HIS . 98.6 t -71.35 92.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.497 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.458 ' HA ' ' ND1' ' G' ' 13' ' ' HIS . 25.7 p-80 -96.91 134.0 40.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.757 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 176.81 172.34 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' G' ' 15' ' ' GLN . 17.9 mt-30 -148.14 -177.52 5.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 84.3 mttt 55.15 -120.73 1.65 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.759 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 0.3 OUTLIER -147.63 144.48 28.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.025 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 1.111 ' O ' HG23 ' G' ' 18' ' ' VAL . 10.0 p 162.19 -158.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.996 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -159.96 159.35 32.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.542 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' G' ' 20' ' ' PHE . 11.3 m-85 -161.87 159.9 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 0.0 110.762 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.718 ' CB ' HD21 ' G' ' 34' ' ' LEU . . . -168.46 134.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.69 ' H ' ' HB3' ' G' ' 22' ' ' GLU . 9.9 pt-20 -177.17 132.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 146.65 37.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' F' ' 25' ' ' GLY . 0.2 OUTLIER -136.94 162.92 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.581 ' N ' ' CG2' ' F' ' 24' ' ' VAL . . . 100.23 -44.93 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.458 ' O ' ' O ' ' G' ' 27' ' ' ASN . 1.2 m -168.19 91.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.52 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -96.73 109.7 22.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' F' ' 28' ' ' LYS . 0.0 OUTLIER -103.96 -158.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.488 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.28 89.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' G' ' 30' ' ' ALA . . . -142.8 -178.47 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.402 HG21 HD13 ' F' ' 31' ' ' ILE . 9.7 mt -146.65 145.14 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.397 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.9 145.53 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 146.12 15.41 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.916 ' H ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -148.77 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 110.555 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 6.6 tpt -151.45 148.92 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.507 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.646 ' CG1' HG22 ' G' ' 36' ' ' VAL . 14.3 m -151.6 151.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.15 146.42 15.77 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.27 153.32 24.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.56 139.07 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.309 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.577 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' G' ' 6' ' ' HIS . 26.2 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.78 86.17 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . 0.702 ' H ' ' H ' ' F' ' 3' ' ' GLU . 4.8 mt-10 61.8 124.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -68.11 156.05 38.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 50.97 70.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . 0.628 ' N ' ' ND1' ' G' ' 6' ' ' HIS . 0.5 OUTLIER -60.54 120.56 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' G' ' 8' ' ' SER . 39.5 t0 -119.94 -22.89 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 0.9 OUTLIER 35.85 42.29 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.414 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 1.286 ' O ' ' N ' ' H' ' 10' ' ' TYR . . . -66.26 -71.45 0.9 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.988 ' HB2' ' O ' ' G' ' 9' ' ' GLY . 0.1 OUTLIER 146.98 -143.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.899 ' HA ' ' HA ' ' F' ' 11' ' ' GLU . 3.6 mt-10 -163.89 162.12 23.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.453 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 1.008 ' O ' HG23 ' H' ' 12' ' ' VAL . 39.1 t 124.84 59.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.989 ' H ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 t-80 -132.4 162.8 30.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.501 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.984 ' CG ' ' H ' ' G' ' 15' ' ' GLN . 81.7 t60 176.0 -164.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.524 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.984 ' H ' ' CG ' ' G' ' 14' ' ' HIS . 13.6 tt0 -139.31 -67.86 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.689 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -90.58 -87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.629 ' N ' ' NE2' ' G' ' 14' ' ' HIS . 1.9 pp -150.05 146.6 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.027 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 1.111 HG23 ' O ' ' F' ' 18' ' ' VAL . 11.2 p 174.58 -173.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.22 0.534 . . . . 0.0 111.32 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 1.017 ' H ' HG22 ' G' ' 18' ' ' VAL . 9.6 t80 -148.06 149.04 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' F' ' 20' ' ' PHE . 9.5 m-85 -144.69 142.82 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' G' ' 19' ' ' PHE . . . -153.37 128.83 9.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.237 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.69 ' HB3' ' H ' ' F' ' 22' ' ' GLU . 0.2 OUTLIER 173.22 155.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.856 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.422 ' OD1' ' OD1' ' G' ' 27' ' ' ASN . 3.5 p-10 -102.36 149.2 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.142 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.693 HG13 ' P ' ' F' ' 101' ' ' 2PO . 14.3 p -134.4 151.59 32.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.688 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.587 ' CA ' ' O3P' ' F' ' 101' ' ' 2PO . . . 113.29 -69.21 0.23 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.2 p -155.84 95.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.534 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' F' ' 26' ' ' SER . 39.7 t30 -92.04 136.73 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -109.8 -175.1 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.35 93.54 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.779 ' HB1' ' O ' ' H' ' 30' ' ' ALA . . . -141.71 -172.27 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -146.2 145.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.294 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.98 145.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.531 ' C ' HD23 ' G' ' 34' ' ' LEU . . . -153.83 151.36 23.1 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.718 HD21 ' CB ' ' F' ' 21' ' ' ALA . 0.1 OUTLIER -159.4 159.31 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.912 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' G' ' 35' ' ' MET . 3.8 ppp? -153.95 150.52 28.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.249 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.646 HG22 ' CG1' ' F' ' 36' ' ' VAL . 12.3 m -154.6 155.65 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.684 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.08 151.42 23.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.9 146.17 15.54 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.66 160.83 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.617 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.631 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.38 -76.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.69 2.65 6.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.45 72.88 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.34 104.8 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -42.43 138.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 53.0 96.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.182 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 1.3 t -176.02 173.47 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' I' ' 9' ' ' GLY . . . 66.13 67.08 2.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 1.286 ' N ' ' O ' ' G' ' 9' ' ' GLY . 32.7 p90 -138.59 136.43 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 1.264 ' O ' HG13 ' H' ' 12' ' ' VAL . 0.5 OUTLIER -57.36 -70.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.628 0.251 . . . . 0.0 110.675 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 1.264 HG13 ' O ' ' H' ' 11' ' ' GLU . 30.4 m 135.83 -128.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER 157.5 -161.63 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.538 ' O ' ' CB ' ' H' ' 15' ' ' GLN . 7.7 t-80 78.57 107.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.63 ' OE1' ' ND1' ' I' ' 14' ' ' HIS . 0.0 OUTLIER 158.65 172.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.683 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -96.05 -62.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 1.044 ' O ' HG13 ' H' ' 18' ' ' VAL . 2.1 pp -148.7 145.08 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.737 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 1.044 HG13 ' O ' ' H' ' 17' ' ' LEU . 0.0 OUTLIER 177.64 -177.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.362 0.601 . . . . 0.0 111.663 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.83 ' O ' ' CD2' ' H' ' 20' ' ' PHE . 4.0 t80 -149.41 148.62 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.705 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.83 ' CD2' ' O ' ' H' ' 19' ' ' PHE . 27.4 m-85 -150.75 150.59 31.21 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.01 107.54 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' H' ' 22' ' ' GLU . 1.7 pm0 -166.1 158.69 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.824 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' I' ' 23' ' ' ASP . 1.3 p30 -122.73 164.49 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.266 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.776 ' CG1' ' N ' ' H' ' 25' ' ' GLY . 8.4 t -115.69 177.49 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.558 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.776 ' N ' ' CG1' ' H' ' 24' ' ' VAL . . . 82.81 -86.86 1.47 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -157.73 131.43 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.422 HD21 ' HA ' ' G' ' 27' ' ' ASN . 2.7 p-10 -97.04 -173.2 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.502 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.531 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.0 OUTLIER -128.22 -179.36 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.644 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' G' ' 28' ' ' LYS . . . -94.08 104.39 3.15 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.977 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -151.2 -145.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.639 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.405 HG21 HD13 ' H' ' 31' ' ' ILE . 25.4 mt -144.72 143.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.0 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -146.94 145.58 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.565 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.591 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -147.58 144.24 12.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.814 HD12 ' N ' ' H' ' 34' ' ' LEU . 0.2 OUTLIER -150.72 150.74 31.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' H' ' 35' ' ' MET . 0.7 OUTLIER -146.97 144.5 29.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.091 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.771 HG12 ' H ' ' I' ' 36' ' ' VAL . 19.9 m -152.21 151.94 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.947 0.403 . . . . 0.0 110.736 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.66 150.33 22.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.23 146.68 16.54 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.38 130.42 63.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.474 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.594 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.41 -169.52 0.83 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' I' ' 4' ' ' PHE . 23.9 mm-40 56.67 109.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' I' ' 3' ' ' GLU . 31.8 m-85 -163.65 164.85 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 57.37 160.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -82.76 -0.38 47.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.55 -65.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 22.0 p -44.79 121.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' H' ' 9' ' ' GLY . . . -148.48 146.81 16.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.799 ' CD1' ' O ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -145.14 144.73 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.64 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 1.073 ' HA ' ' O ' ' J' ' 10' ' ' TYR . 9.7 pt-20 -144.68 142.99 30.5 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.57 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.641 ' H ' ' HA ' ' J' ' 11' ' ' GLU . 0.4 OUTLIER -124.15 140.33 47.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.601 ' O ' ' CB ' ' H' ' 13' ' ' HIS . 8.5 t-160 -152.49 145.09 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.183 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.63 ' ND1' ' OE1' ' H' ' 15' ' ' GLN . 79.3 m-70 -159.08 -163.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.919 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' I' ' 16' ' ' LYS . 28.8 tt0 -128.14 -126.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.741 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.663 ' C ' ' O ' ' I' ' 15' ' ' GLN . 62.8 tttt -9.35 -88.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' H' ' 17' ' ' LEU . 2.2 pp -147.54 144.73 28.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.52 HG11 ' CD2' ' I' ' 14' ' ' HIS . 0.5 OUTLIER -150.48 149.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.766 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.619 ' HA ' ' O ' ' J' ' 19' ' ' PHE . 29.5 t80 -155.73 152.27 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.724 ' HB3' ' H ' ' H' ' 20' ' ' PHE . 0.1 OUTLIER 169.12 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 120.47 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.466 ' O ' ' OE1' ' J' ' 22' ' ' GLU . 3.3 mp0 -115.74 89.2 3.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' J' ' 23' ' ' ASP . 44.5 t0 -100.23 146.38 26.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.47 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.797 HG12 ' H ' ' I' ' 25' ' ' GLY . 6.7 t -139.77 176.95 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.707 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.797 ' H ' HG12 ' I' ' 24' ' ' VAL . . . 99.08 -97.12 1.79 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.546 ' H ' ' HA3' ' J' ' 25' ' ' GLY . 93.8 p -143.89 107.92 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.56 166.39 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.497 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.797 ' CD ' ' H ' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -103.69 129.64 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.42 102.74 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.977 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -163.6 -126.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.626 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -145.21 144.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.03 147.06 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.859 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -151.3 149.67 21.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.859 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.9 mp -150.62 149.75 30.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.641 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.426 ' C ' HG13 ' I' ' 36' ' ' VAL . 5.4 ptt? -149.07 146.59 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.771 ' H ' HG12 ' H' ' 36' ' ' VAL . 29.8 m -153.34 152.66 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.665 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.73 150.9 22.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.11 147.2 17.41 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 m -116.49 138.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.576 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.24 118.06 7.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -158.31 -12.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -87.61 156.75 19.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -86.37 0.19 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -43.89 -46.14 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -59.94 177.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 0.0 OUTLIER 42.32 91.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . 0.498 ' CA ' ' HA2' ' I' ' 9' ' ' GLY . . . -63.81 -71.69 0.81 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 1.073 ' O ' ' HA ' ' I' ' 11' ' ' GLU . 29.1 t80 -156.2 154.65 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.573 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.765 ' O ' HG12 ' J' ' 12' ' ' VAL . 0.0 OUTLIER -157.11 157.74 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.765 HG12 ' O ' ' J' ' 11' ' ' GLU . 0.3 OUTLIER 87.05 118.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.795 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' J' ' 13' ' ' HIS . 53.6 t60 -126.19 17.44 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' J' ' 15' ' ' GLN . 1.0 OUTLIER 77.42 -152.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.608 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.551 ' CB ' ' O ' ' J' ' 14' ' ' HIS . 7.1 tp60 85.58 126.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.689 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' I' ' 16' ' ' LYS . 32.7 mmtm 40.07 -104.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -148.87 146.35 27.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -149.16 148.3 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.605 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 8.1 t80 -153.02 150.55 29.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.229 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' I' ' 20' ' ' PHE . 3.6 p90 175.77 -174.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.095 0.474 . . . . 0.0 111.264 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.79 130.19 37.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.429 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' I' ' 22' ' ' GLU . 37.8 mm-40 -135.16 95.7 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.482 ' O ' ' OD1' ' I' ' 23' ' ' ASP . 16.8 t70 -123.95 160.07 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.35 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' J' ' 26' ' ' SER . 18.8 m -53.98 142.87 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.619 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.546 ' HA3' ' H ' ' I' ' 26' ' ' SER . . . -40.57 -22.4 0.05 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' J' ' 24' ' ' VAL . 0.7 OUTLIER -85.82 128.66 34.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.64 178.05 6.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.517 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.44 77.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.53 150.29 6.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.929 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -88.91 -12.5 41.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 tt -149.43 146.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.269 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -149.36 146.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.198 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.05 150.68 22.68 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -148.89 146.16 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.228 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -149.79 148.53 29.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.519 ' H ' HG12 ' I' ' 36' ' ' VAL . 17.4 m -155.23 153.41 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.653 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.96 153.25 24.69 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.18 150.77 22.67 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 m -106.26 151.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.576 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.188 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.192 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.182 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.7 -130.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.73 48.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 36.4 m-85 54.55 15.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 53.2 47.99 23.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -124.63 161.73 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 11.9 p30 -45.95 129.25 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.196 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 3.2 t -46.02 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.615 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.33 69.75 1.23 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -153.63 151.21 29.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.379 . . . . 0.0 110.593 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -154.79 154.03 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' OH ' ' B' ' 10' ' ' TYR . 15.4 m -119.97 114.47 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 10.3 p80 -155.82 166.23 34.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.584 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 22.9 t-160 -175.78 -116.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.624 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 2.9 tt0 -157.49 171.23 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.612 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 60.7 mttm 53.12 -95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD23 ' C ' ' A' ' 17' ' ' LEU . 2.8 tt -145.61 144.95 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.032 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.79 ' O ' HG23 ' B' ' 18' ' ' VAL . 37.3 t -151.1 150.01 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.394 . . . . 0.0 110.64 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CE1' ' CG2' ' A' ' 36' ' ' VAL . 2.2 p90 -149.76 147.86 28.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.403 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' B' ' 20' ' ' PHE . 26.8 m-85 -149.65 147.18 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.389 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.92 102.93 3.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' B' ' 22' ' ' GLU . 3.4 pt-20 171.76 157.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' CG ' HD22 ' A' ' 27' ' ' ASN . 1.8 p-10 -72.71 132.99 44.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.52 114.51 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.73 -70.38 0.5 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.83 117.61 8.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.673 0.273 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -88.91 121.55 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -100.53 -168.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.72 80.29 0.06 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.01 -171.74 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.295 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mt -146.52 144.56 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.102 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.739 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.9 pp -149.56 148.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' B' ' 33' ' ' GLY . . . -152.2 149.74 21.48 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.862 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 pt? -153.8 152.83 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.012 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 1.032 ' O ' HG13 ' A' ' 36' ' ' VAL . 28.5 ttt -156.47 152.64 27.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.261 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.069 ' CG1' HG23 ' B' ' 36' ' ' VAL . 0.0 OUTLIER 170.25 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.281 0.562 . . . . 0.0 111.752 179.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.762 ' H ' ' HA2' ' B' ' 37' ' ' GLY . . . 67.63 69.67 1.32 Allowed Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.562 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' B' ' 38' ' ' GLY . . . -142.98 140.52 9.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 39' ' ' VAL . 2.4 p -64.4 53.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 110.685 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.574 ' N ' ' O ' ' A' ' 38' ' ' GLY . 33.4 t . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.543 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' B' ' 4' ' ' PHE . 14.2 m-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.71 -10.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.401 ' H ' ' H ' ' B' ' 4' ' ' PHE . 72.2 tt0 -164.23 -13.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' B' ' 1' ' ' ASP . 89.9 m-85 51.06 178.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 6' ' ' HIS . 75.1 mtt85 -76.77 -115.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 5' ' ' ARG . 76.6 m80 56.72 155.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.664 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' B' ' 8' ' ' SER . 2.7 p30 -68.8 -171.53 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.174 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 1.4 p 156.53 143.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.47 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.411 ' H ' ' HB3' ' A' ' 8' ' ' SER . . . -148.0 145.94 15.04 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.632 ' OH ' HG12 ' B' ' 12' ' ' VAL . 45.2 t80 -147.77 145.73 28.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.652 0.263 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.69 154.02 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.632 HG12 ' OH ' ' B' ' 10' ' ' TYR . 2.7 m -120.62 160.01 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.805 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' HIS . 9.1 t60 -178.69 129.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.705 ' CD2' HG21 ' B' ' 18' ' ' VAL . 39.5 m-70 -141.03 -147.96 0.23 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.566 ' N ' ' OE1' ' B' ' 15' ' ' GLN . 19.1 mp0 -128.29 -109.23 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.893 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 65.6 mmtt -37.44 -79.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.404 HD12 HD22 ' C' ' 17' ' ' LEU . 6.4 tt -148.08 146.11 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.534 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' VAL . 9.5 p -148.55 146.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.502 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' B' ' 19' ' ' PHE . 8.0 p90 -154.72 152.68 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.73 ' H ' ' HB3' ' C' ' 20' ' ' PHE . 10.7 p90 -168.78 168.89 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 111.227 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.32 116.99 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.225 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.9 pt-20 -178.87 169.59 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.939 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.59 ' HA ' ' O ' ' C' ' 23' ' ' ASP . 41.9 p30 -117.32 155.07 30.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.388 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.48 ' H ' HG13 ' C' ' 24' ' ' VAL . 0.3 OUTLIER -99.24 108.34 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.493 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.1 -94.92 0.18 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -154.49 115.78 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.584 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -84.28 154.76 22.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -93.17 -178.97 4.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.7 105.78 1.56 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.63 -160.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.683 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 31' ' ' ILE . 26.2 mt -145.77 145.86 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.164 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' C' ' 32' ' ' ILE . 11.7 mt -147.8 145.79 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.282 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -156.18 153.81 25.03 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.711 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 3.2 pp -157.63 156.63 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 1.066 ' O ' HG22 ' B' ' 36' ' ' VAL . 1.9 tmt? -152.56 151.27 30.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.69 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 1.069 HG23 ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER 155.7 -151.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.38 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.762 ' HA2' ' H ' ' A' ' 37' ' ' GLY . . . 153.55 -153.6 24.95 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.884 ' O ' ' O ' ' A' ' 38' ' ' GLY . . . -144.0 142.77 11.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -76.62 141.27 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.903 0.382 . . . . 0.0 110.687 -179.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.86 ' H ' HG23 ' A' ' 39' ' ' VAL . 6.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.663 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.9 p30 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.84 -74.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.615 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -92.76 158.93 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.496 ' CD2' ' C ' ' C' ' 4' ' ' PHE . 2.1 t80 -176.63 112.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.51 -73.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' C' ' 6' ' ' HIS . 15.3 t-80 -177.16 87.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.496 ' H ' ' HA ' ' D' ' 7' ' ' ASP . 7.8 m-20 56.61 122.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 8.1 m -42.66 -32.09 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' C' ' 10' ' ' TYR . . . 64.31 69.03 1.43 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' C' ' 9' ' ' GLY . 26.5 m-85 -143.98 142.45 30.72 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -150.54 149.26 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.659 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.58 130.45 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.61 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -131.65 170.68 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' C' ' 15' ' ' GLN . 7.7 t-80 -173.9 -162.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.677 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.65 ' H ' ' CG ' ' C' ' 14' ' ' HIS . 34.7 tt0 -137.48 -65.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.571 ' O ' ' CB ' ' D' ' 16' ' ' LYS . 4.0 mmtp -82.8 -81.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.546 ' O ' ' CE1' ' C' ' 14' ' ' HIS . 6.7 tt -145.56 143.8 30.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.301 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.751 HG12 HG22 ' D' ' 18' ' ' VAL . 3.6 p -150.64 148.24 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.636 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.687 ' C ' ' CD1' ' C' ' 19' ' ' PHE . 0.0 OUTLIER -158.1 156.36 30.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.73 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 170.59 -169.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.55 112.59 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.314 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.93 116.72 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.693 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' B' ' 23' ' ' ASP . 47.1 t0 -140.12 119.65 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.265 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.587 HG12 ' H ' ' C' ' 25' ' ' GLY . 0.6 OUTLIER -128.58 179.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.624 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.587 ' H ' HG12 ' C' ' 24' ' ' VAL . . . 95.47 -87.48 1.03 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.2 p -157.58 108.64 2.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.464 ' CG ' ' H ' ' C' ' 28' ' ' LYS . 9.7 t-20 -71.93 -176.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.474 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.563 ' HD2' ' H ' ' C' ' 28' ' ' LYS . 0.1 OUTLIER -131.44 161.8 31.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.555 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.7 95.01 1.45 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.772 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -148.0 -139.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.57 HD12 ' C ' ' C' ' 30' ' ' ALA . 4.8 mp -144.48 143.6 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.156 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 32' ' ' ILE . 11.5 mt -146.2 144.73 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' D' ' 33' ' ' GLY . . . -150.23 148.09 18.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.684 HD23 ' N ' ' C' ' 34' ' ' LEU . 1.9 pt? -153.84 153.72 32.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.446 ' HB2' HG13 ' B' ' 36' ' ' VAL . 12.5 ptm -148.03 145.17 28.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.077 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.995 ' H ' HG21 ' B' ' 36' ' ' VAL . 18.4 m -150.09 146.85 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.35 153.73 25.04 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 149.53 21.24 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.402 ' CG2' HG23 ' D' ' 39' ' ' VAL . 6.3 m -94.49 120.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.521 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.02 -70.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.18 124.16 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -174.06 95.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.572 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -163.57 -77.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -173.52 -45.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.496 ' HA ' ' H ' ' C' ' 7' ' ' ASP . 7.6 p-10 -53.72 -177.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.552 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.179 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 2.2 p 71.78 108.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.74 ' H ' ' H ' ' C' ' 8' ' ' SER . . . -151.37 147.47 17.41 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' D' ' 10' ' ' TYR . 0.0 OUTLIER -150.54 150.81 31.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.652 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -147.24 145.58 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.21 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.439 HG23 HG23 ' E' ' 12' ' ' VAL . 2.6 m -122.64 133.3 69.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.706 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' D' ' 13' ' ' HIS . 1.3 t-80 -156.3 115.32 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.485 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.631 ' CG ' HG21 ' D' ' 18' ' ' VAL . 0.0 OUTLIER -143.02 -159.99 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' D' ' 17' ' ' LEU . 61.6 mm-40 -126.2 -167.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.676 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 15.1 mmtt 39.56 -98.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' D' ' 15' ' ' GLN . 5.8 tt -149.57 146.5 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.382 . . . . 0.0 110.492 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.751 HG22 HG12 ' C' ' 18' ' ' VAL . 70.2 t -149.53 149.0 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.608 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 28.3 t80 -154.81 151.65 28.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.647 ' CE1' ' CD2' ' E' ' 20' ' ' PHE . 0.4 OUTLIER 177.52 -176.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.125 0.488 . . . . 0.0 111.306 179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.36 135.98 53.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.328 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -113.82 122.13 46.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.787 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -143.92 116.27 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.236 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.518 HG13 ' H ' ' C' ' 24' ' ' VAL . 0.2 OUTLIER -138.06 -174.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.646 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.517 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 88.71 -92.13 1.78 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -146.17 106.37 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.511 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -86.03 165.66 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.554 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -106.01 153.62 21.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.42 101.8 2.15 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.772 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -153.35 -127.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 0.0 110.552 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.411 HD13 HG21 ' D' ' 31' ' ' ILE . 12.3 mt -144.31 143.61 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.208 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.406 HD13 HG21 ' D' ' 32' ' ' ILE . 7.0 mt -146.94 145.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.374 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.488 ' C ' HD23 ' D' ' 34' ' ' LEU . . . -149.75 148.29 19.44 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.883 HD23 ' N ' ' D' ' 34' ' ' LEU . 0.7 OUTLIER -152.32 149.19 28.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' E' ' 35' ' ' MET . 22.6 ptp -150.13 149.36 30.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.623 HG21 ' CG ' ' C' ' 19' ' ' PHE . 31.4 m -151.89 151.01 12.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.642 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.09 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.53 150.19 22.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' C' ' 39' ' ' VAL . 1.7 p -106.61 129.96 59.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.6 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.583 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.57 -19.54 63.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -173.74 161.71 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -83.01 -74.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -161.75 24.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.482 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -83.31 123.22 29.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -46.59 158.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 0.9 OUTLIER -126.29 97.29 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.44 65.9 2.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.412 ' CD2' ' C ' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -148.92 147.65 28.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.785 0.326 . . . . 0.0 110.373 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -150.56 149.1 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.577 HG22 ' N ' ' E' ' 13' ' ' HIS . 4.1 p -125.29 162.61 27.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.577 ' N ' HG22 ' E' ' 12' ' ' VAL . 0.9 OUTLIER -144.56 -59.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.653 ' ND1' ' N ' ' E' ' 15' ' ' GLN . 6.7 p80 41.84 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.608 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.653 ' N ' ' ND1' ' E' ' 14' ' ' HIS . 14.1 mm100 -143.68 -48.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.474 ' N ' ' CD ' ' E' ' 16' ' ' LYS . 10.6 mptt -82.22 -88.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -148.21 146.1 28.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -151.78 149.55 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.656 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 8.8 m-85 -155.02 153.28 30.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.289 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.647 ' CD2' ' CE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER 175.75 -174.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.81 112.46 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.467 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' E' ' 22' ' ' GLU . 1.4 mp0 -101.46 112.01 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.72 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' E' ' 22' ' ' GLU . 90.0 m-20 -137.57 132.1 32.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.63 108.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.71 6.85 37.41 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -135.95 149.33 48.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.602 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -137.61 172.47 12.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -127.97 -153.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.37 175.03 0.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.642 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -70.73 5.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 7.9 mt -148.38 145.1 18.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.331 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -147.53 146.48 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' D' ' 33' ' ' GLY . . . -151.37 149.09 20.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mt -149.57 148.13 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.444 ' O ' HG13 ' E' ' 36' ' ' VAL . 2.5 ptt? -152.64 149.82 28.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.612 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.58 HG22 HG12 ' D' ' 36' ' ' VAL . 27.1 m -156.0 155.57 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.98 153.3 24.73 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.89 152.91 24.45 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.61 163.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.834 0.349 . . . . 0.0 110.615 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.549 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.0 -159.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' F' ' 3' ' ' GLU . 0.5 OUTLIER -82.95 158.26 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.62 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.489 ' O ' ' O ' ' F' ' 5' ' ' ARG . 0.3 OUTLIER -159.82 172.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' F' ' 4' ' ' PHE . 36.7 mmt-85 57.59 143.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . 0.447 ' ND1' ' NH2' ' H' ' 5' ' ' ARG . 93.2 m-70 -42.93 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' F' ' 9' ' ' GLY . 28.0 t70 -68.61 65.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.3 OUTLIER -38.31 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.75 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' F' ' 7' ' ' ASP . . . 149.37 -146.97 16.87 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.702 ' HA ' ' HA ' ' G' ' 10' ' ' TYR . 13.3 p90 -146.11 144.88 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' G' ' 11' ' ' GLU . 0.0 OUTLIER -60.51 -72.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.995 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.579 HG23 ' H ' ' G' ' 13' ' ' HIS . 27.3 m -147.85 158.66 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.638 ' O ' ' CG ' ' F' ' 14' ' ' HIS . 30.0 t-80 -171.3 82.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.65 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' F' ' 13' ' ' HIS . 1.5 m170 162.22 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.657 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' F' ' 14' ' ' HIS . 56.0 mm-40 75.4 127.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.716 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' G' ' 16' ' ' LYS . 74.0 mttt -56.6 -61.98 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.662 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.2 pp -148.48 144.75 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.664 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 1.051 HG22 ' H ' ' F' ' 19' ' ' PHE . 4.5 p 170.62 -169.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.215 0.531 . . . . 0.0 111.287 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 1.051 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -149.6 149.77 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.168 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 1.013 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 27.7 m-85 -148.7 145.29 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.533 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.53 112.72 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.468 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 176.44 177.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.665 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.622 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 1.2 p30 -101.21 133.53 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.615 ' H ' HG13 ' G' ' 24' ' ' VAL . 6.3 p -104.55 147.79 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.521 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -56.04 2.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -156.27 117.96 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.705 0.288 . . . . 0.0 110.624 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -102.37 144.15 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.529 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' G' ' 27' ' ' ASN . 11.5 mptt -107.03 -172.06 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.598 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.37 108.89 2.64 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.5 -164.03 1.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.705 0.288 . . . . 0.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -143.32 142.2 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.99 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.75 146.69 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.434 ' C ' ' HG ' ' F' ' 34' ' ' LEU . . . -147.2 145.99 15.32 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.859 ' N ' HD12 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -149.09 146.76 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.57 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.454 ' O ' ' HA ' ' G' ' 35' ' ' MET . 31.8 ttm -150.65 148.07 28.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.775 HG13 ' CZ ' ' F' ' 19' ' ' PHE . 11.5 m -152.31 152.64 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 110.915 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.32 147.95 18.64 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.81 150.54 22.44 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.438 HG13 HG23 ' G' ' 39' ' ' VAL . 7.6 p -128.9 152.72 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.554 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.408 ' N ' HG22 ' F' ' 39' ' ' VAL . 7.2 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.595 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.4 164.72 13.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.97 -1.52 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 50.65 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.502 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . 0.432 ' H ' ' HD2' ' G' ' 5' ' ' ARG . 2.4 mpt_? -83.03 -124.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 m80 52.57 12.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' NE ' ' H' ' 5' ' ' ARG . 1.8 m-20 64.88 164.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.539 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.181 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 45.7 t -72.04 -54.24 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' F' ' 8' ' ' SER . . . 63.57 67.88 1.88 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.903 ' OH ' HG11 ' H' ' 24' ' ' VAL . 3.8 p90 -151.35 149.82 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 110.428 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.844 ' H ' ' H ' ' F' ' 11' ' ' GLU . 0.5 OUTLIER -152.37 152.29 31.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.729 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.456 ' N ' ' HG2' ' G' ' 11' ' ' GLU . 0.8 OUTLIER -119.57 150.64 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.565 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.66 ' O ' ' CG ' ' G' ' 14' ' ' HIS . 1.7 t-80 179.82 159.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.66 ' CG ' ' O ' ' G' ' 13' ' ' HIS . 30.4 m80 -162.81 -146.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.518 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' G' ' 17' ' ' LEU . 1.3 mp0 -138.26 -173.68 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' H' ' 16' ' ' LYS . 27.9 mmtp 33.56 -90.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' G' ' 15' ' ' GLN . 1.3 pp -147.01 144.38 29.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.656 HG21 ' CB ' ' G' ' 14' ' ' HIS . 33.8 t -155.38 153.49 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' G' ' 19' ' ' PHE . 0.0 OUTLIER -163.27 161.92 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 1.013 ' HB2' ' O ' ' F' ' 20' ' ' PHE . 19.9 p90 161.96 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.082 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.73 127.41 32.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.318 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' H' ' 23' ' ' ASP . 2.4 tp10 -98.22 115.22 27.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 7.3 t70 -130.2 108.91 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.299 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.72 HG12 ' H ' ' G' ' 25' ' ' GLY . 1.4 t -126.4 -158.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.679 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.72 ' H ' HG12 ' G' ' 24' ' ' VAL . . . 75.21 -82.03 0.91 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -152.2 110.96 3.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.649 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' F' ' 28' ' ' LYS . 63.6 t-20 -87.96 92.37 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.557 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.634 ' CD ' ' H ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -72.56 -179.13 2.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.473 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.81 88.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.46 -171.15 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.527 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mt -145.32 144.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.114 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.28 145.65 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 150.26 22.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.778 ' N ' HD23 ' G' ' 34' ' ' LEU . 2.0 pt? -156.06 154.56 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' G' ' 35' ' ' MET . 0.0 OUTLIER -149.46 148.74 29.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.622 HG12 HG12 ' F' ' 36' ' ' VAL . 7.3 p -153.95 152.09 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.664 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.94 152.48 24.13 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.37 147.49 17.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.538 ' CG1' HG13 ' H' ' 39' ' ' VAL . 2.5 p -126.8 146.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.571 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.23 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 62.22 173.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' H' ' 5' ' ' ARG . 60.2 t80 -169.65 176.71 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.596 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . 0.622 ' N ' ' CD2' ' H' ' 4' ' ' PHE . 12.4 ttp180 70.99 140.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' H' ' 5' ' ' ARG . 1.3 m-70 -49.32 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -55.87 133.73 51.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.189 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 11.0 m -98.99 -1.85 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.59 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 0.421 ' N ' ' HA3' ' I' ' 9' ' ' GLY . . . 63.68 69.39 1.33 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.789 ' CD1' ' CZ ' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -151.73 148.16 27.56 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.382 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 1.184 ' HA ' ' O ' ' I' ' 10' ' ' TYR . 2.7 pm0 -153.43 153.46 32.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 111.201 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.653 ' H ' ' HA ' ' I' ' 11' ' ' GLU . 78.7 t -99.81 86.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.3 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.633 ' HA ' ' HB2' ' I' ' 13' ' ' HIS . 8.0 m170 -85.14 165.72 17.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.437 ' NE2' ' HB3' ' I' ' 13' ' ' HIS . 4.8 p-80 177.24 -178.9 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.62 HE22 HE21 ' I' ' 15' ' ' GLN . 3.1 mm-40 -138.32 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' G' ' 16' ' ' LYS . 5.6 mptp? 39.01 -89.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' H' ' 15' ' ' GLN . 2.1 pp -144.73 142.73 30.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.886 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' H' ' 20' ' ' PHE . 3.5 t -153.11 151.01 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.936 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.549 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.5 OUTLIER -155.56 153.31 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.391 179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' H' ' 20' ' ' PHE . 0.0 OUTLIER 169.8 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.033 0.444 . . . . 0.0 111.236 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.68 132.23 54.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -91.22 117.36 29.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' I' ' 26' ' ' SER . 1.8 t0 -143.95 94.72 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.42 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.903 HG11 ' OH ' ' G' ' 10' ' ' TYR . 2.9 p -139.6 164.17 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.64 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.606 ' N ' HG22 ' H' ' 24' ' ' VAL . . . 100.63 -58.58 0.71 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.438 ' N ' ' OE2' ' I' ' 3' ' ' GLU . 3.4 m -165.53 115.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.588 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.599 ' ND2' ' CB ' ' I' ' 26' ' ' SER . 3.5 t-20 -90.72 167.16 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.522 ' N ' ' OD1' ' H' ' 27' ' ' ASN . 0.0 OUTLIER -126.74 168.37 14.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.31 101.68 2.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.43 -147.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.642 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -144.06 143.63 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.83 144.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.832 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.67 148.13 19.12 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.832 HD12 ' C ' ' H' ' 33' ' ' GLY . 5.7 mp -149.41 147.91 28.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.85 0.357 . . . . 0.0 110.671 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' I' ' 35' ' ' MET . 15.4 ptm -148.11 145.32 28.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.305 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.602 HG23 HG23 ' G' ' 36' ' ' VAL . 10.0 m -154.42 154.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.43 152.23 23.82 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.39 146.92 17.0 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.538 HG13 ' CG1' ' G' ' 39' ' ' VAL . 3.5 t -109.27 149.1 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.762 0.315 . . . . 0.0 110.576 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.528 HG23 HG12 ' H' ' 39' ' ' VAL . 5.2 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.585 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . 0.415 ' O ' ' CE1' ' I' ' 4' ' ' PHE . . . -42.96 108.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' I' ' 3' ' ' GLU . 1.5 pm0 -41.46 144.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' I' ' 2' ' ' ALA . 66.7 m-85 -124.12 -165.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.515 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 44.97 -161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.421 ' N ' ' ND1' ' I' ' 6' ' ' HIS . 2.1 m-70 -95.34 115.12 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' I' ' 7' ' ' ASP . 1.2 m-20 -117.65 169.57 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.515 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.178 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 0.9 OUTLIER 73.38 109.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.501 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . 0.538 ' C ' ' HA3' ' J' ' 9' ' ' GLY . . . -62.23 -68.79 1.51 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 1.254 ' HA ' ' N ' ' J' ' 10' ' ' TYR . 0.1 OUTLIER -153.0 148.53 27.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 110.56 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.972 ' N ' ' H ' ' J' ' 10' ' ' TYR . 0.6 OUTLIER -153.37 151.59 30.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 110.596 179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.744 ' CB ' ' O ' ' I' ' 11' ' ' GLU . 91.3 t 111.81 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.633 ' HB2' ' HA ' ' H' ' 13' ' ' HIS . 1.6 t-160 -80.23 -152.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.566 ' O ' ' ND1' ' I' ' 14' ' ' HIS . 0.1 OUTLIER -156.7 129.17 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.605 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.62 HE21 HE22 ' H' ' 15' ' ' GLN . 2.0 mm-40 172.2 130.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.476 ' HB3' ' H ' ' I' ' 17' ' ' LEU . 15.7 tptt 38.26 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.407 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' I' ' 15' ' ' GLN . 61.1 tp -148.14 145.05 28.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.373 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -146.85 145.75 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.57 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 19.5 t80 -152.45 149.62 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' J' ' 20' ' ' PHE . 2.9 p90 -177.85 178.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.093 0.473 . . . . 0.0 111.426 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.83 115.21 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' I' ' 11' ' ' GLU . 15.1 mt-10 -91.65 103.37 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -135.12 115.28 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.534 HG11 ' N ' ' J' ' 25' ' ' GLY . 0.7 OUTLIER -42.88 137.91 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.411 ' C ' ' OD1' ' H' ' 23' ' ' ASP . . . 45.95 -159.95 0.23 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.599 ' CB ' ' ND2' ' H' ' 27' ' ' ASN . 3.5 t -92.86 171.83 8.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' I' ' 27' ' ' ASN . 22.0 p-10 -70.53 153.48 42.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.604 ' O ' ' N ' ' I' ' 30' ' ' ALA . 10.7 mmtp -75.72 -177.75 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.02 79.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.604 ' N ' ' O ' ' I' ' 28' ' ' LYS . . . -155.48 -145.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -146.3 145.5 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.29 148.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.804 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -153.11 150.02 21.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.804 HD12 ' C ' ' I' ' 33' ' ' GLY . 5.4 mp -153.91 153.53 32.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.39 . . . . 0.0 110.63 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.472 ' HA ' ' O ' ' H' ' 35' ' ' MET . 14.4 ptm -151.13 148.97 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.463 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.641 HG12 HG22 ' J' ' 36' ' ' VAL . 32.9 m -154.01 153.29 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.97 155.18 26.1 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 148.14 19.14 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.34 121.72 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.604 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 28.6 t0 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.98 -71.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 65.17 179.72 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 51.72 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -43.16 156.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . 0.498 ' CD2' ' OD1' ' J' ' 7' ' ' ASP . 5.6 t-160 -158.39 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . 0.742 ' HA ' ' OG ' ' I' ' 8' ' ' SER . 9.6 m-20 -69.0 -151.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.183 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 20.6 m 36.66 83.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . 0.779 ' N ' ' HB2' ' I' ' 8' ' ' SER . . . -64.6 -71.38 0.87 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 1.254 ' N ' ' HA ' ' I' ' 10' ' ' TYR . 0.4 OUTLIER 161.69 -161.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.173 0.511 . . . . 0.0 110.836 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.843 ' HG3' ' H ' ' J' ' 12' ' ' VAL . 6.4 tp10 167.1 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.843 ' H ' ' HG3' ' J' ' 11' ' ' GLU . 62.7 t -37.86 -83.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 65.2 79.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.622 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.646 ' CD2' ' H ' ' J' ' 15' ' ' GLN . 9.6 t-160 -173.51 172.67 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.646 ' H ' ' CD2' ' J' ' 14' ' ' HIS . 13.9 mt-30 47.48 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 9.7 mptt 41.78 -137.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' J' ' 16' ' ' LYS . 3.1 mt -147.03 145.15 29.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 18.1 m -151.04 148.5 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.54 ' O ' ' HA ' ' I' ' 19' ' ' PHE . 6.0 m-85 -156.33 154.83 31.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.388 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' I' ' 20' ' ' PHE . 0.7 OUTLIER 177.04 -176.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.477 . . . . 0.0 111.198 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.34 108.46 19.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.405 ' OE2' ' OE1' ' I' ' 22' ' ' GLU . 5.9 mm-40 -96.71 101.96 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.8 128.81 25.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.395 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.615 ' C ' ' H ' ' J' ' 26' ' ' SER . 4.8 m -61.89 -165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.628 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.534 ' N ' HG11 ' I' ' 24' ' ' VAL . . . -61.69 9.86 0.1 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.615 ' H ' ' C ' ' J' ' 24' ' ' VAL . 53.0 m -82.75 88.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.7 0.286 . . . . 0.0 110.581 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -118.14 163.63 16.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -114.34 135.98 53.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.465 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.6 93.74 1.49 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.529 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -168.73 -109.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.549 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.675 ' C ' HD12 ' J' ' 32' ' ' ILE . 12.4 pt -146.14 144.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.194 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.675 HD12 ' C ' ' J' ' 31' ' ' ILE . 5.3 mp -146.45 145.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.383 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' I' ' 33' ' ' GLY . . . -151.92 149.22 20.9 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -151.59 150.76 30.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.619 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -152.71 149.63 28.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.641 HG22 HG12 ' I' ' 36' ' ' VAL . 18.5 m -156.1 155.57 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.69 155.39 26.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.46 152.63 24.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.43 ' O ' ' OXT' ' J' ' 40' ' ' VAL . 17.7 m -114.81 162.25 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.521 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' J' ' 39' ' ' VAL . 13.4 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.658 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.196 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.174 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.179 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.181 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.189 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.178 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.183 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 3' ' ' GLU . 83.4 m-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.3 -2.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 1' ' ' ASP . 4.7 pt-20 -179.35 -173.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -70.87 -140.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -172.74 100.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.614 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -105.34 -29.88 9.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . 2.3 m-20 -132.73 -72.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 1.166 ' OG ' ' P ' ' A' ' 101' ' ' 2PO . 0.7 OUTLIER -36.9 95.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.498 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ASP . . . 60.3 68.05 1.86 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -157.85 157.3 32.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.78 150.98 30.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.354 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -124.96 155.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -177.81 141.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -173.01 -159.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.656 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 26.5 mt-30 -124.98 -162.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' B' ' 16' ' ' LYS . 24.1 mtpp 40.23 -103.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -145.3 143.53 30.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.0 t -151.31 148.8 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.612 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.546 ' HB2' ' CD2' ' B' ' 19' ' ' PHE . 1.5 p90 -155.96 154.73 31.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' H ' ' HB3' ' B' ' 20' ' ' PHE . 49.7 m-85 -157.44 157.22 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB3' HD23 ' A' ' 34' ' ' LEU . . . -151.64 114.39 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.439 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -160.96 166.15 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.72 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 23' ' ' ASP . 2.5 p30 -131.38 161.32 32.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.484 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -34.84 156.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 24' ' ' VAL . . . 48.2 -157.38 0.93 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 t -94.37 -169.78 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.472 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -78.26 113.87 16.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' ALA . 62.6 mttp -92.42 -156.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.82 68.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' B' ' 30' ' ' ALA . . . -156.13 -177.91 6.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 mt -146.93 144.86 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.133 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 32' ' ' ILE . 27.6 pt -149.25 148.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.721 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.32 15.74 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -149.56 148.14 29.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.776 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.3 ttp -146.54 144.0 29.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.239 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.2 m -148.43 147.54 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.19 152.18 23.79 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.63 23.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.4 t -112.18 133.02 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.539 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 t0 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.74 175.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 64.18 46.98 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -84.59 34.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -81.74 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.56 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -61.16 142.88 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' B' ' 6' ' ' HIS . 34.9 m-20 55.56 160.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 1.198 ' OG ' ' P ' ' B' ' 101' ' ' 2PO . 60.9 m -167.03 125.67 1.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.99 148.74 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.54 ' CZ ' ' CD1' ' C' ' 10' ' ' TYR . 28.6 p90 -151.41 149.82 29.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 110.796 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 12.7 pt-20 -150.94 148.92 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' C' ' 13' ' ' HIS . 1.8 m -126.59 136.21 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' B' ' 13' ' ' HIS . 3.7 p80 -150.78 100.43 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' B' ' 15' ' ' GLN . 16.7 p80 -104.02 -142.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.563 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.639 ' N ' ' ND1' ' B' ' 14' ' ' HIS . 30.1 tt0 -146.99 -90.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.602 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 4.7 mptp? -49.71 -86.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.2 pp -146.73 144.91 29.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.275 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.428 HG21 ' CB ' ' B' ' 14' ' ' HIS . 44.2 t -153.76 151.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.865 ' CZ ' HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.88 156.45 31.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.692 ' HB3' ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER 176.17 -175.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.213 0.53 . . . . 0.0 111.456 -179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 119.9 17.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.029 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' B' ' 20' ' ' PHE . 5.6 mp0 -98.67 140.06 33.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.018 0.437 . . . . 0.0 111.161 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.729 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 29.2 t0 -152.46 118.01 5.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.166 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.31 -169.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.33 -89.96 1.63 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.404 ' N ' HG11 ' A' ' 24' ' ' VAL . 16.8 m -154.09 105.63 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 110.559 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.416 HD21 ' HG3' ' A' ' 28' ' ' LYS . 19.4 p-10 -78.24 127.77 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -101.13 -175.28 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.05 97.48 0.44 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -148.73 -170.82 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 58.7 mt -144.64 143.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.433 ' H ' HG22 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -145.82 143.67 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.701 0.286 . . . . 0.0 110.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.468 ' C ' HD23 ' B' ' 34' ' ' LEU . . . -151.46 149.76 21.57 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.928 HD23 ' N ' ' B' ' 34' ' ' LEU . 0.9 OUTLIER -158.28 156.12 30.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.929 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' B' ' 35' ' ' MET . 4.1 ppp? -152.0 150.62 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.448 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.603 HG12 ' H ' ' C' ' 36' ' ' VAL . 25.1 m -152.35 152.03 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.6 151.67 23.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.32 148.52 19.82 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 87.2 t -125.46 150.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.564 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' C' ' 3' ' ' GLU . . . -81.2 154.53 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' C' ' 2' ' ' ALA . 20.5 mt-10 60.32 136.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.579 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -162.26 68.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -151.12 158.79 44.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' C' ' 6' ' ' HIS . 6.6 p-80 -82.51 169.86 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 t70 45.62 92.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' C' ' 101' ' ' 2PO . 3.0 t -61.83 -31.12 71.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.565 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.11 69.76 1.24 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.605 ' CZ ' ' CD1' ' D' ' 10' ' ' TYR . 0.1 OUTLIER -149.93 147.08 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.435 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' B' ' 11' ' ' GLU . 4.0 pt-20 -150.52 148.93 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.845 HG23 HG23 ' D' ' 12' ' ' VAL . 2.0 m -119.48 99.67 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.689 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . 0.557 ' C ' ' CD2' ' C' ' 14' ' ' HIS . 8.7 t60 -99.24 150.9 21.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.237 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.581 ' CE1' ' O ' ' D' ' 13' ' ' HIS . 0.0 OUTLIER -155.36 -173.26 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.506 ' OE1' ' NE2' ' D' ' 15' ' ' GLN . 3.4 tp-100 -131.72 -105.85 0.26 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.518 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' B' ' 16' ' ' LYS . 0.0 OUTLIER -39.4 -84.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.603 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 pp -147.98 145.92 28.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' C' ' 14' ' ' HIS . 0.4 OUTLIER -150.2 149.24 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.838 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.561 ' C ' ' CD2' ' C' ' 19' ' ' PHE . 2.1 t80 -152.43 149.52 28.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.647 ' HB3' ' H ' ' B' ' 20' ' ' PHE . 0.1 OUTLIER 173.71 -172.8 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.473 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.0 113.38 16.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.214 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.438 ' OE1' ' OE2' ' D' ' 22' ' ' GLU . 1.1 mp0 -87.33 110.54 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -129.71 111.51 12.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.363 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.64 176.93 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.5 -87.16 1.24 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 10.7 m -157.57 121.08 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' C' ' 28' ' ' LYS . 10.3 t-20 -80.67 174.32 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.491 ' N ' ' OD1' ' C' ' 27' ' ' ASN . 0.0 OUTLIER -129.05 164.35 23.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.92 91.67 0.61 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.945 ' HB1' ' O ' ' D' ' 30' ' ' ALA . . . -150.76 -151.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.658 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mt -145.56 145.04 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -147.49 145.85 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.574 ' C ' HD23 ' C' ' 34' ' ' LEU . . . -149.9 147.98 18.77 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.843 HD23 ' N ' ' C' ' 34' ' ' LEU . 0.6 OUTLIER -155.23 153.26 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.777 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' C' ' 35' ' ' MET . 4.2 ppp? -151.78 150.74 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.406 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.603 ' H ' HG12 ' B' ' 36' ' ' VAL . 32.8 m -152.12 151.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.625 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.2 150.11 21.9 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.67 148.09 19.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.44 HG12 ' N ' ' C' ' 40' ' ' VAL . 21.8 t -123.37 157.89 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.44 ' N ' HG12 ' C' ' 39' ' ' VAL . 7.7 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.561 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -27.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.61 171.2 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' D' ' 5' ' ' ARG . 14.4 p90 -165.07 -152.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.433 ' N ' ' CD1' ' D' ' 4' ' ' PHE . 11.0 tpt180 60.14 142.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' D' ' 7' ' ' ASP . 49.1 t-80 -70.54 156.82 38.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' D' ' 9' ' ' GLY . 61.2 t0 48.3 98.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.567 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 1.191 ' OG ' ' P ' ' D' ' 101' ' ' 2PO . 0.9 OUTLIER -67.29 7.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' D' ' 7' ' ' ASP . . . 64.54 68.81 1.52 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 1.003 ' O ' ' O ' ' E' ' 10' ' ' TYR . 0.8 OUTLIER -143.28 143.33 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.738 ' N ' ' CD1' ' D' ' 10' ' ' TYR . 0.0 OUTLIER -145.44 142.93 29.72 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.845 HG23 HG23 ' C' ' 12' ' ' VAL . 1.3 p -106.92 161.75 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.581 ' O ' ' CE1' ' C' ' 14' ' ' HIS . 59.3 t-80 -165.7 141.88 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' D' ' 15' ' ' GLN . 6.0 p80 -152.06 -142.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' D' ' 14' ' ' HIS . 40.1 tt0 -155.73 -78.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.781 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' C' ' 16' ' ' LYS . 11.8 tttp -70.67 -79.21 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.814 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.37 147.16 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.489 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.512 HG23 HG23 ' E' ' 18' ' ' VAL . 14.9 m -152.35 150.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' N ' ' D' ' 20' ' ' PHE . 26.5 t80 -153.31 150.9 29.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.199 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.622 ' HZ ' HG21 ' D' ' 12' ' ' VAL . 13.8 p90 175.37 -174.01 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.184 0.516 . . . . 0.0 111.249 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.17 121.78 24.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.372 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' D' ' 20' ' ' PHE . 33.8 mm-40 -98.39 119.94 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.735 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.488 ' CG ' ' ND2' ' D' ' 27' ' ' ASN . 34.8 t0 -137.94 117.46 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.396 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.514 HG12 ' H ' ' D' ' 25' ' ' GLY . 1.5 t -138.1 172.09 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.654 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.514 ' H ' HG12 ' D' ' 24' ' ' VAL . . . 94.87 -97.16 2.11 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.525 ' H ' ' HA3' ' E' ' 25' ' ' GLY . 62.5 p -145.0 103.74 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.317 . . . . 0.0 110.575 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' CG ' ' D' ' 23' ' ' ASP . 1.7 m120 -81.49 171.07 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.532 ' HD2' ' H ' ' D' ' 28' ' ' LYS . 0.0 OUTLIER -104.16 160.88 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.602 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.64 100.76 2.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.945 ' O ' ' HB1' ' C' ' 30' ' ' ALA . . . -156.23 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.82 144.06 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.137 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.59 147.79 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.483 ' C ' HD12 ' D' ' 34' ' ' LEU . . . -150.91 149.46 21.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.483 HD12 ' C ' ' D' ' 33' ' ' GLY . 3.9 mp -149.27 147.4 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.551 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' E' ' 35' ' ' MET . 8.4 ptm -149.73 147.42 28.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.651 HG12 HG22 ' E' ' 36' ' ' VAL . 33.8 m -154.32 153.33 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.694 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.72 152.71 24.29 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.88 148.04 18.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -126.53 136.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.557 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.63 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 64.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -156.92 110.96 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -100.49 -32.16 10.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.473 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' E' ' 6' ' ' HIS . 9.5 ptt-85 -171.61 49.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . 0.464 ' ND1' ' C ' ' E' ' 6' ' ' HIS . 4.5 t-80 56.88 110.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' E' ' 7' ' ' ASP . 14.7 p-10 -167.48 138.43 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 1.184 ' OG ' ' P ' ' E' ' 101' ' ' 2PO . 4.4 t -159.6 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.79 -148.06 18.6 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 1.003 ' O ' ' O ' ' D' ' 10' ' ' TYR . 1.1 m-85 -154.67 153.34 31.17 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.746 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' D' ' 11' ' ' GLU . 0.0 OUTLIER -145.39 141.16 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.735 ' H ' ' H ' ' D' ' 12' ' ' VAL . 2.8 t -79.32 -73.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.523 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.587 ' O ' ' CG ' ' E' ' 13' ' ' HIS . 0.0 OUTLIER 62.25 125.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.655 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.619 ' CG ' ' H ' ' E' ' 15' ' ' GLN . 1.7 t60 177.8 -127.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.619 ' H ' ' CG ' ' E' ' 14' ' ' HIS . 3.5 mm-40 55.94 -116.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' D' ' 16' ' ' LYS . 6.2 mptt -82.33 -78.65 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.7 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.722 HD13 ' H ' ' E' ' 18' ' ' VAL . 0.1 OUTLIER -148.03 145.94 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.722 ' H ' HD13 ' E' ' 17' ' ' LEU . 2.6 p -151.15 148.89 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.642 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 19' ' ' PHE . 2.6 m-85 -157.25 155.47 30.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' D' ' 20' ' ' PHE . 0.1 OUTLIER 171.79 -170.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.95 107.32 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.438 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' E' ' 22' ' ' GLU . 1.5 mp0 -104.75 102.05 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -120.33 145.1 47.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.493 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' E' ' 26' ' ' SER . 2.7 p -65.32 161.61 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.54 ' N ' HG22 ' E' ' 24' ' ' VAL . . . -42.3 -18.02 0.03 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.548 ' N ' ' O ' ' E' ' 24' ' ' VAL . 1.4 p -79.01 104.97 10.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.01 -176.1 4.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.605 ' HD2' ' H ' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -101.98 139.61 37.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.78 101.59 2.66 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.837 ' O ' ' HB1' ' D' ' 30' ' ' ALA . . . -173.49 -111.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.587 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 21.0 tt -145.75 145.02 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.137 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.4 HG21 HD13 ' E' ' 32' ' ' ILE . 1.8 mt -148.55 147.15 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.445 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.75 148.11 19.08 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -149.08 147.19 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' D' ' 35' ' ' MET . 0.0 OUTLIER -151.83 148.98 28.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.651 HG22 HG12 ' D' ' 36' ' ' VAL . 24.7 m -155.73 155.22 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.615 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.1 153.39 24.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.98 151.52 23.31 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -124.21 133.55 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.649 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.05 -112.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -110.03 -174.46 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.485 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -65.93 156.26 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . 0.646 HH12 ' H ' ' G' ' 9' ' ' GLY . 26.4 mtp180 -102.69 145.59 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.606 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . 0.597 ' CG ' ' N ' ' F' ' 7' ' ' ASP . 0.9 OUTLIER -151.87 -110.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . 0.597 ' N ' ' CG ' ' F' ' 6' ' ' HIS . 1.4 p30 -94.96 59.35 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 1.186 ' OG ' ' P ' ' F' ' 101' ' ' 2PO . 0.2 OUTLIER -173.27 -62.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' G' ' 9' ' ' GLY . . . -62.36 -66.33 2.66 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' G' ' 10' ' ' TYR . 11.7 t80 -63.0 -70.09 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.67 0.272 . . . . 0.0 110.538 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.671 ' HA ' ' H ' ' G' ' 11' ' ' GLU . 17.2 pt-20 -151.68 149.21 28.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' G' ' 11' ' ' GLU . 0.4 OUTLIER -103.18 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . 0.402 ' ND1' ' N ' ' F' ' 13' ' ' HIS . 0.0 OUTLIER -132.74 158.78 41.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.646 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.582 ' CG ' ' H ' ' F' ' 15' ' ' GLN . 13.4 t-80 -154.92 -132.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.582 ' H ' ' CG ' ' F' ' 14' ' ' HIS . 2.7 pt20 -172.25 164.66 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.593 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 80.0 mttt 57.0 -115.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.721 ' O ' ' HB ' ' F' ' 18' ' ' VAL . 2.0 pp -149.89 146.52 27.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.115 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 1.034 HG22 ' H ' ' F' ' 19' ' ' PHE . 8.1 p 165.39 -163.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.028 0.442 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 1.034 ' H ' HG22 ' F' ' 18' ' ' VAL . 0.0 OUTLIER -147.94 148.87 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.05 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.744 ' O ' ' HB2' ' G' ' 20' ' ' PHE . 18.0 m-85 -149.32 147.67 28.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.656 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.27 122.51 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.464 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' G' ' 23' ' ' ASP . 31.2 mp0 -88.94 112.8 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.584 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' O ' ' G' ' 23' ' ' ASP . 12.3 t70 -152.66 99.08 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.752 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.667 ' CG1' ' H ' ' G' ' 25' ' ' GLY . 0.6 OUTLIER -49.32 135.58 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.515 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.69 -161.79 23.03 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.484 ' OG ' ' N ' ' F' ' 27' ' ' ASN . 2.5 t -95.02 176.43 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.498 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' F' ' 26' ' ' SER . 57.0 t-20 -71.17 112.74 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -88.32 -165.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' G' ' 28' ' ' LYS . . . -62.54 95.96 0.14 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.22 179.54 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.753 0.311 . . . . 0.0 110.518 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mt -147.63 147.72 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' G' ' 32' ' ' ILE . 1.2 pt -141.07 140.39 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.981 ' H ' ' HA2' ' G' ' 33' ' ' GLY . . . -64.54 -72.73 0.66 Allowed Glycine 0 CA--C 1.521 0.43 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.895 ' HB2' ' O ' ' F' ' 33' ' ' GLY . 2.7 tp 153.79 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.37 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.606 ' SD ' ' N ' ' F' ' 36' ' ' VAL . 0.0 OUTLIER -164.12 162.22 22.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.684 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' G' ' 36' ' ' VAL . 0.1 OUTLIER -148.55 148.17 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.192 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.83 ' O ' ' HA2' ' G' ' 37' ' ' GLY . . . -63.58 -70.77 0.97 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . 1.073 ' HA3' ' H ' ' G' ' 38' ' ' GLY . . . 157.85 -156.12 27.05 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.42 HG13 ' H ' ' F' ' 39' ' ' VAL . 0.8 OUTLIER -77.59 149.18 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.556 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.422 ' OXT' ' O ' ' G' ' 40' ' ' VAL . 6.4 t . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.3 -171.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . 0.511 ' CG ' ' H2 ' ' H' ' 1' ' ' ASP . 41.5 mt-10 -81.67 -11.32 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.507 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' G' ' 5' ' ' ARG . 47.8 t80 51.77 175.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.588 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' G' ' 4' ' ' PHE . 64.0 mtp180 -74.39 18.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' G' ' 4' ' ' PHE . 5.6 t60 -76.86 124.91 28.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -84.22 76.06 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 1.19 ' OG ' ' P ' ' G' ' 101' ' ' 2PO . 3.3 m -55.31 -177.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . 1.16 ' O ' ' O ' ' F' ' 9' ' ' GLY . . . -151.28 150.65 22.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' G' ' 10' ' ' TYR . 0.0 OUTLIER -148.09 144.02 27.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.397 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' H' ' 11' ' ' GLU . 33.4 mt-10 -142.51 143.2 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.923 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.738 ' N ' ' HB2' ' H' ' 11' ' ' GLU . 4.7 t -109.88 135.02 50.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.617 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' H' ' 14' ' ' HIS . 0.6 OUTLIER -175.46 95.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.569 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.517 ' H ' ' HG3' ' H' ' 15' ' ' GLN . 4.8 m-70 -111.07 -139.48 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.683 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.671 ' O ' ' C ' ' G' ' 16' ' ' LYS . 31.0 mt-30 -132.26 -143.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.671 ' C ' ' O ' ' G' ' 15' ' ' GLN . 7.1 mttp -6.87 -90.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.782 HD23 ' C ' ' G' ' 17' ' ' LEU . 0.3 OUTLIER -145.8 142.86 29.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.133 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' G' ' 14' ' ' HIS . 68.1 t -147.15 146.38 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.493 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.572 ' O ' ' HB2' ' F' ' 19' ' ' PHE . 0.0 OUTLIER -155.99 153.61 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 1.011 ' O ' ' HB2' ' H' ' 20' ' ' PHE . 4.1 p90 171.8 -170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.469 . . . . 0.0 111.333 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.44 147.22 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.552 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.649 ' O ' ' O ' ' H' ' 23' ' ' ASP . 18.7 mp0 -112.39 124.1 51.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' F' ' 23' ' ' ASP . 21.0 t0 -157.07 99.02 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.348 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.513 ' CG2' ' H ' ' H' ' 25' ' ' GLY . 15.5 m -90.51 -168.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.658 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.667 ' H ' ' CG1' ' F' ' 24' ' ' VAL . . . 72.02 -106.9 2.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.3 t -151.0 135.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.58 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' G' ' 28' ' ' LYS . 26.4 t-20 -83.44 149.5 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' G' ' 28' ' ' LYS . 0.0 OUTLIER -105.41 170.02 8.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.08 100.26 0.14 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.46 -162.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.913 0.387 . . . . 0.0 110.76 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.458 ' C ' ' CG1' ' G' ' 32' ' ' ILE . 23.6 mt -143.7 143.25 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.95 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' F' ' 32' ' ' ILE . 1.7 mt -153.24 152.9 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.982 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.981 ' HA2' ' H ' ' F' ' 33' ' ' GLY . . . -144.22 143.02 11.6 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.773 ' O ' ' O ' ' F' ' 34' ' ' LEU . 4.7 mp -148.12 145.92 28.58 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.506 ' HA ' ' HA ' ' F' ' 35' ' ' MET . 10.5 ptp -150.44 146.87 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.218 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 1.122 ' O ' ' O ' ' F' ' 36' ' ' VAL . 11.1 m -145.68 146.89 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.508 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.83 ' HA2' ' O ' ' F' ' 37' ' ' GLY . . . -152.26 149.02 20.63 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . 1.073 ' H ' ' HA3' ' F' ' 38' ' ' GLY . . . -153.61 153.45 24.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 85.6 t -86.28 123.82 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 110.565 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.422 ' O ' ' OXT' ' F' ' 40' ' ' VAL . 6.3 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . 0.511 ' H2 ' ' CG ' ' G' ' 3' ' ' GLU . 10.2 t70 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.4 136.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -172.89 133.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.523 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -177.93 37.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -102.46 -137.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' H' ' 6' ' ' HIS . 4.9 m80 -108.58 -173.68 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.68 -153.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 1.187 ' OG ' ' P ' ' H' ' 101' ' ' 2PO . 8.6 t 61.7 141.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' I' ' 9' ' ' GLY . . . -145.08 143.54 12.01 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.937 ' H ' ' HA ' ' I' ' 10' ' ' TYR . 0.1 OUTLIER -58.26 -72.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.708 -0.289 . . . . 0.0 110.761 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . 0.879 ' HA ' ' HA ' ' G' ' 11' ' ' GLU . 2.1 pt-20 157.69 -155.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.953 ' HB ' ' H ' ' I' ' 13' ' ' HIS . 2.0 t 61.21 93.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.595 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' H' ' 14' ' ' HIS . 3.1 m-70 -120.25 -54.1 2.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' H' ' 13' ' ' HIS . 64.8 m-70 -161.22 136.04 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.708 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.524 ' C ' ' NE2' ' H' ' 15' ' ' GLN . 0.0 OUTLIER 172.16 156.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.544 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.568 ' O ' ' HB3' ' I' ' 16' ' ' LYS . 51.3 mmtt -38.42 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.669 HD12 ' C ' ' H' ' 17' ' ' LEU . 1.0 OUTLIER -143.99 142.6 30.79 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.498 ' N ' HD12 ' H' ' 17' ' ' LEU . 2.5 p -150.59 149.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.694 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.597 ' C ' ' CD2' ' H' ' 19' ' ' PHE . 0.0 OUTLIER -156.5 153.62 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.578 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 1.011 ' HB2' ' O ' ' G' ' 20' ' ' PHE . 0.1 OUTLIER 161.67 -160.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.999 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.436 ' H ' ' HB2' ' H' ' 20' ' ' PHE . . . -109.37 107.22 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.232 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.612 ' C ' ' OH ' ' H' ' 10' ' ' TYR . 2.0 mt-10 -81.01 105.71 12.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.66 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.649 ' O ' ' O ' ' G' ' 22' ' ' GLU . 9.4 t70 -138.42 106.62 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.305 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.803 HG22 ' H ' ' H' ' 25' ' ' GLY . 9.8 p -115.03 177.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.803 ' H ' HG22 ' H' ' 24' ' ' VAL . . . 83.52 -72.22 2.87 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -153.11 167.14 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.691 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' G' ' 23' ' ' ASP . 0.9 OUTLIER -127.78 -177.27 4.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.578 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.465 ' H ' ' HD2' ' H' ' 28' ' ' LYS . 0.1 OUTLIER -118.0 165.97 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.48 94.24 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.75 ' HB1' ' O ' ' I' ' 30' ' ' ALA . . . -153.39 -121.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.631 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 mt -145.54 144.29 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.243 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.18 148.93 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.409 . . . . 0.0 110.648 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.692 ' C ' HD12 ' H' ' 34' ' ' LEU . . . -149.48 146.8 16.48 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.708 HD12 ' N ' ' H' ' 34' ' ' LEU . 1.5 mp -151.46 151.21 31.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.984 0.421 . . . . 0.0 110.713 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.554 ' SD ' ' N ' ' H' ' 35' ' ' MET . 0.0 OUTLIER -150.29 147.74 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.356 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.589 HG22 HG12 ' G' ' 36' ' ' VAL . 34.9 m -151.3 150.93 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' G' ' 37' ' ' GLY . . . -154.0 152.11 23.74 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.01 150.4 22.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 p -111.77 126.02 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.61 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.603 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.92 -101.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 47.13 -162.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 t80 56.38 78.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt-85 -164.94 -72.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.523 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . 0.694 ' CG ' ' H ' ' I' ' 7' ' ' ASP . 46.9 t60 -155.85 -166.95 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . 0.694 ' H ' ' CG ' ' I' ' 6' ' ' HIS . 14.0 m-20 -58.11 109.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 1.185 ' OG ' ' P ' ' I' ' 101' ' ' 2PO . 0.2 OUTLIER -60.75 -4.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' I' ' 10' ' ' TYR . . . 64.45 69.0 1.45 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' J' ' 10' ' ' TYR . 15.4 m-85 -141.52 141.66 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.802 ' O ' ' O ' ' H' ' 11' ' ' GLU . 23.9 tt0 -148.13 144.01 27.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.087 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.84 HG22 ' H ' ' J' ' 12' ' ' VAL . 1.4 m -138.6 123.1 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.529 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.953 ' H ' ' HB ' ' H' ' 12' ' ' VAL . 0.0 OUTLIER 172.95 120.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.428 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.935 ' CG ' ' H ' ' I' ' 15' ' ' GLN . 0.0 OUTLIER -106.95 -130.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.662 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.935 ' H ' ' CG ' ' I' ' 14' ' ' HIS . 72.7 tp60 -122.97 -96.96 0.46 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' H' ' 16' ' ' LYS . 20.6 tttp -32.47 -92.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.868 ' N ' ' NE2' ' I' ' 14' ' ' HIS . 2.3 pp -144.87 143.36 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.181 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.996 ' O ' HG21 ' J' ' 18' ' ' VAL . 2.3 p -147.6 145.2 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.51 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' I' ' 20' ' ' PHE . 9.7 t80 -150.06 147.49 27.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.653 ' N ' ' CD2' ' I' ' 19' ' ' PHE . 0.1 OUTLIER 173.5 -171.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 111.397 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.97 115.08 18.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.263 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' I' ' 22' ' ' GLU . 3.2 mp0 -87.99 108.27 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -130.11 111.75 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' I' ' 25' ' ' GLY . 1.4 p -145.06 162.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' I' ' 24' ' ' VAL . . . 117.04 -82.37 0.32 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -145.31 98.51 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -78.03 -174.5 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.515 ' H ' ' HD2' ' I' ' 28' ' ' LYS . 0.0 OUTLIER -138.95 167.92 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.638 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.58 99.59 2.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.75 ' O ' ' HB1' ' H' ' 30' ' ' ALA . . . -152.42 -131.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -145.65 145.27 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.22 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -147.31 145.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.362 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.728 ' C ' HD12 ' I' ' 34' ' ' LEU . . . -150.88 149.12 20.89 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.728 HD12 ' C ' ' I' ' 33' ' ' GLY . 2.6 mp -149.49 148.5 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.553 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -146.32 144.84 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.1 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.45 HG23 HG23 ' J' ' 36' ' ' VAL . 0.3 OUTLIER -152.92 151.39 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.374 . . . . 0.0 110.632 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.04 152.59 24.16 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.46 146.91 16.97 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -122.28 138.65 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.563 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.577 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' J' ' 3' ' ' GLU . . . -83.99 -98.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' J' ' 2' ' ' ALA . 47.9 tt0 59.95 121.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -165.64 -72.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -171.02 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -54.56 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . 0.601 ' O ' ' O ' ' J' ' 8' ' ' SER . 1.0 OUTLIER 62.36 123.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 1.197 ' OG ' ' P ' ' J' ' 101' ' ' 2PO . 2.6 p 53.78 137.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . 0.507 ' N ' ' HB3' ' I' ' 8' ' ' SER . . . -60.51 -68.73 1.54 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.975 ' O ' ' O ' ' I' ' 10' ' ' TYR . 2.6 m-85 -156.29 155.79 32.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.696 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' J' ' 11' ' ' GLU . 1.2 pm0 -153.48 150.57 28.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.84 ' H ' HG22 ' I' ' 12' ' ' VAL . 34.9 t 64.27 104.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.682 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.594 ' H ' ' CB ' ' I' ' 13' ' ' HIS . 7.8 t-80 -81.82 -120.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.535 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' J' ' 13' ' ' HIS . 61.6 m80 -162.48 70.16 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.495 ' H ' ' HD2' ' J' ' 16' ' ' LYS . 36.2 tp60 -176.24 57.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' J' ' 16' ' ' LYS . 0.0 OUTLIER -175.97 -167.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.855 ' O ' ' HB ' ' J' ' 18' ' ' VAL . 17.9 tp -145.89 144.41 30.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 1.01 HG22 ' H ' ' J' ' 19' ' ' PHE . 11.6 p 148.94 -146.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.322 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 1.01 ' H ' HG22 ' J' ' 18' ' ' VAL . 5.0 m-85 -156.29 153.68 29.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' J' ' 20' ' ' PHE . 0.0 OUTLIER -157.87 158.32 34.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.654 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.18 144.94 43.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -103.43 164.33 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -103.65 -111.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.678 HG22 ' N ' ' J' ' 25' ' ' GLY . 14.3 p -175.72 170.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . 0.678 ' N ' HG22 ' J' ' 24' ' ' VAL . . . -58.5 -52.67 51.51 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -120.31 103.85 9.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.598 ' N ' ' ND2' ' J' ' 27' ' ' ASN . 0.1 OUTLIER -79.37 170.88 15.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.626 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' J' ' 28' ' ' LYS . 0.0 OUTLIER -99.05 147.15 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.72 2.78 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.589 ' O ' ' HB1' ' I' ' 30' ' ' ALA . . . -161.83 -115.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.71 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -147.47 146.94 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.279 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -147.71 146.51 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.69 150.05 21.78 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mt -150.55 150.06 30.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' J' ' 35' ' ' MET . 0.0 OUTLIER -147.72 145.26 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.221 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.621 HG21 ' CD2' ' I' ' 19' ' ' PHE . 0.0 OUTLIER -151.82 151.46 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.776 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.02 149.68 21.43 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.16 148.61 20.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.55 156.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.66 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.54 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' 2PO . . . . . 1.166 ' P ' ' OG ' ' A' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' 2PO . . . . . 1.198 ' P ' ' OG ' ' B' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' C' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 101' ' ' 2PO . . . . . 1.191 ' P ' ' OG ' ' D' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 101' ' ' 2PO . . . . . 1.184 ' P ' ' OG ' ' E' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 101' ' ' 2PO . . . . . 1.186 ' P ' ' OG ' ' F' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 101' ' ' 2PO . . . . . 1.19 ' P ' ' OG ' ' G' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 101' ' ' 2PO . . . . . 1.187 ' P ' ' OG ' ' H' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 101' ' ' 2PO . . . . . 1.185 ' P ' ' OG ' ' I' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 101' ' ' 2PO . . . . . 1.197 ' P ' ' OG ' ' J' ' 8' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_